Consensus flow list

Identity

Type
Neutral molecule
CAS
99-88-7
EC
202-797-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-isopropylaniline

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LRTFPLFDLJYEKT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
IUPAC name chemrof:IUPAC_name 4-isopropylaniline
Molecular formula chemrof:molecular_formula C9H13N
Molecular mass chemrof:molecular_mass 135.21
Monoisotopic mass chemrof:monoisotopic_mass 135.104799, 135.1048
SMILES string chemrof:smiles_string CC(C)c1ccc(N)cc1

Known URLs

19

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=99-88-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:43405 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.543 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.208.040 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20243932 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB02114 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7198 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0D54T7V7XL enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0062481 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.624F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=146723 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:ISO enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7464 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018979 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11838430 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19836052 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21110068 enrich_references.chebi_xrefs
reaxys reaxys:1930544 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27093183 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
18b18ceb-b2c3-444d-8c63-8fe61ed9973b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
64094c00-a82e-4fcb-bc8f-7dc8b53fe26d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
44c1047e-7dda-4092-812e-a583828e2f88 Environmental → Air → Indoor EF 3.1 kg 4
f14778de-8ac8-43b9-8027-892f38bc01dd Environmental → Air → Long-term EF 3.1 kg 0
1d361dbe-2bed-44f1-84e9-49d8e7a7d901 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6b451012-45c4-47d3-8806-3e60958418f9 Environmental → Air → Unknown EF 3.1 kg 4
da1181ce-badd-4aad-8422-016ecfdb6664 Environmental → Ground → Agricultural EF 3.1 kg 4
05d670f0-ca43-4887-92e4-8e6d26c3f237 Environmental → Ground → Non-agricultural EF 3.1 kg 4
58ac965e-bbeb-4f69-a864-7f1b289ba146 Environmental → Ground → Unknown EF 3.1 kg 4
e232ee88-5426-4fef-9abf-8bda07a07311 Environmental → Water → Long-term EF 3.1 kg 0
e4795b45-4e38-4017-9913-f52af4f4cc58 Environmental → Water → Ocean EF 3.1 kg 4
61c3c112-61dc-4abd-8dfb-987af1644c34 Environmental → Water → Surface water EF 3.1 kg 4
b9f06445-a36e-4c20-b103-7a39672d4d8c 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-b1643f97c3194ed8",
  "prefLabel": [
    {
      "@value": "4-isopropylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Amino-4-isopropylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=99-88-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(1-methylethyl)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-(1-Methylethyl)benzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=99-88-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(2-Propyl)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=99-88-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(propan-2-yl)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Amino-1-isopropylbenzene",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Aminocumene",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "4-Aminoisopropylbenzene",
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        ],
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      }
    },
    {
      "@value": "4-Isopropylbenzenamine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Isopropylphenylamine",
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        ],
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      }
    },
    {
      "@value": "[4-(1-Methylethyl)phenyl]amine",
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      }
    },
    {
      "@value": "Benzenamine, 4-(1-methylethyl)-",
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    },
    {
      "@value": "Cumidine",
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    },
    {
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    },
    {
      "@value": "p-Isopropylaniline",
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    },
    {
      "@value": "β-(4-Aminophenyl)propane",
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  "references": [
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