Consensus flow list

Identity

Type
Neutral molecule
CAS
2162-74-5
EC
218-487-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n'-bis(2,6-diisopropylphenyl)carbodiimide

Alternative labels

23

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XLDBGFGREOMWSL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C25H34N2/c1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8/h9-14,16-19H,1-8H3
IUPAC name chemrof:IUPAC_name N,N′-Bis(2,6-diisopropylphenyl)carbodiimide
Molecular formula chemrof:molecular_formula C25H34N2
Molecular mass chemrof:molecular_mass 362.561
Monoisotopic mass chemrof:monoisotopic_mass 362.272199
SMILES string chemrof:smiles_string CC(C)c1cccc(C(C)C)c1N=C=Nc1c(C(C)C)cccc1C(C)C

Known URLs

7

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2162-74-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.807 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5051862 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YPK27Z98PL enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J299.128D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75100 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27894368 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a8928e20-474f-4429-8f8e-3d3c76f8a74a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cc893233-4a05-4aca-a445-69f0927db5e1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
172091f2-1ce4-4de5-90ff-9f08ec48c0e8 Environmental → Air → Indoor EF 3.1 kg 4
b899996d-b2fd-4885-9c75-29e640446072 Environmental → Air → Long-term EF 3.1 kg 0
38c5e76d-70d7-4f4b-b4ca-2af1f8e51466 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
711a7ae0-3d7b-4a50-a5d7-dedcb7914b55 Environmental → Air → Unknown EF 3.1 kg 4
7afbdd7f-26d0-4408-8a87-6078aa1dfebd Environmental → Ground → Agricultural EF 3.1 kg 4
4449fa92-3f2a-483c-8115-b4e860ded549 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6381b419-4a55-4d49-baee-0236deb6663c Environmental → Ground → Unknown EF 3.1 kg 4
85e036d0-e79b-46f0-acb1-4d4b91d8d990 Environmental → Water → Long-term EF 3.1 kg 0
66fd8088-1f06-4a11-aabf-05d8d11bbd7c Environmental → Water → Ocean EF 3.1 kg 4
1814abfe-0068-450c-a894-290ae2c4b565 Environmental → Water → Surface water EF 3.1 kg 4
0cb686e6-4d38-40be-97ef-e66e3a41dc51 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5b34af18f626378f",
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      "@value": "N,n'-bis(2,6-diisopropylphenyl)carbodiimide",
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  ],
  "altLabel": [
    {
      "@value": "2,2′,6,6′-Tetraisopropyldiphenylcarbodiimide",
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    },
    {
      "@value": "Bis(o,o′-diisopropylphenyl)carbodiimide",
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      "@value": "Carbo D",
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    },
    {
      "@value": "Carbodiimide, bis(2,6-diisopropylphenyl)-",
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      "@value": "Chinox SA 1",
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      "@value": "Eustab HS 700",
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    },
    {
      "@value": "N,N′-(2,2′,6,6′-Tetraisopropyldiphenyl)carbodiimide",
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    },
    {
      "@value": "N,N′-Di-2,6-diisopropylphenylcarbodiimide",
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    },
    {
      "@value": "Stabaxol 1",
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      }
    },
    {
      "@value": "Stabaxol EN 160",
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    {
      "@value": "Stabaxol I",
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      "@value": "Stabaxol I-LF",
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      "@value": "Stabaxol P 1",
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    },
    {
      "@value": "Staboxol I",
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    },
    {
      "@value": "Zika AH 362",
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C25H34N2"
      ],
      "attested_by": {
        "C25H34N2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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        },
        {
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            "CC(C)c1cccc(C(C)C)c1N=C=Nc1c(C(C)C)cccc1C(C)C"
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "XLDBGFGREOMWSL-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)c1cccc(C(C)C)c1N=C=Nc1c(C(C)C)cccc1C(C)C"
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    },
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      "@value": [
        "N,N′-Bis(2,6-diisopropylphenyl)carbodiimide"
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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            "CC(C)C1=C(C(=CC=C1)C(C)C)N=C=NC2=C(C=CC=C2C(C)C)C(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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        }
      ],
      "attested_by": {
        "362.561": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
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          ]
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