Consensus flow list

Identity

Type
Neutral molecule
CAS
15875-13-5
EC
240-004-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3,3',3''-(1,3,5-triazinane-1,3,5-triyl)tris(n,n-dimethylpropan-1-amine)

Alternative labels

28

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FZQMJOOSLXFQSU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H42N6/c1-19(2)10-7-13-22-16-23(14-8-11-20(3)4)18-24(17-22)15-9-12-21(5)6/h7-18H2,1-6H3
IUPAC name chemrof:IUPAC_name 1,3,5-Tri(3-dimethylaminopropyl)hexahydro-1,3,5-triazine
Molecular formula chemrof:molecular_formula C18H42N6
Molecular mass chemrof:molecular_mass 342.576
Monoisotopic mass chemrof:monoisotopic_mass 342.347095
SMILES string chemrof:smiles_string CN(C)CCCN1CN(CCCN(C)C)CN(CCCN(C)C)C1

Known URLs

8

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=15875-13-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.036.352 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9041231 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=28833 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z5929UG1VU enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.574H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/85160 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27295018 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dfa37785-9370-466a-bde7-eea4eb9e3c6f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d43ae186-a36e-4773-ab22-7a8492dcb2fd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4b465847-d55c-419b-80df-ad1bb0998038 Environmental → Air → Indoor EF 3.1 kg 4
ab736fd2-024b-441f-a8f8-6b21ce11537b Environmental → Air → Long-term EF 3.1 kg 0
229ff749-cbfc-4c1b-8026-2c521c17bb8f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7b0e38ba-b1c1-4c54-870e-93409d9a0fc1 Environmental → Air → Unknown EF 3.1 kg 4
f7ec0e9f-b5be-4557-9f79-543eb2caa9c3 Environmental → Ground → Agricultural EF 3.1 kg 4
7e66a3ad-8d5f-4b52-b88d-9925584382e7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
11e8c073-b21b-4236-9e1d-21be54c773be Environmental → Ground → Unknown EF 3.1 kg 4
db63ba9b-5677-4fe3-93e1-2a0196ec2b06 Environmental → Water → Long-term EF 3.1 kg 0
733d78d7-e47b-4c4f-aa56-1a691679b7c2 Environmental → Water → Ocean EF 3.1 kg 4
e9fd64ab-25ec-427b-9aa2-643e278b5337 Environmental → Water → Surface water EF 3.1 kg 4
b5efe693-7579-468d-b8d2-5f2d9e6dc7f3 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-144b047c5b8deeb3",
  "prefLabel": [
    {
      "@value": "3,3',3''-(1,3,5-triazinane-1,3,5-triyl)tris(n,n-dimethylpropan-1-amine)",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3,5-Tri(3-dimethylaminopropyl)hexahydro-1,3,5-triazine",
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        ],
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    },
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      "@value": "1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanamine, N,N,N′,N′,N′′,N′′-hexamethyl-",
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    {
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      "@value": "Desmorapid",
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      "@value": "Jeffcat TR 90",
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      "@value": "Kaolizer 14",
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    {
      "@value": "Lupragen N 600",
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    {
      "@value": "Minico R 141",
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    },
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      "@value": "N,N,N′,N′,N′′,N′′-Hexamethyl-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropanamine",
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    {
      "@value": "N,N′,N′′-Tris(3-dimethylaminopropyl)hexahydro-s-triazine",
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    {
      "@value": "N,N′,N′′-Tris(dimethylaminopropyl)-s-hexahydrotriazine",
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        ],
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    },
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      "@value": "N,N′,N′′-Tris(dimethylaminopropyl)-sym-hexahydrotriazine",
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    {
      "@value": "Niax C 41",
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    {
      "@value": "Niax Catalyst C 41",
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    {
      "@value": "PC CAT NP 40",
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    },
    {
      "@value": "Polycat 41",
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    {
      "@value": "Polycat P 41",
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    },
    {
      "@value": "s-Triazine, 1,3,5-tris[3-(dimethylamino)propyl]hexahydro-",
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    },
    {
      "@value": "Tegoamin 41",
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    },
    {
      "@value": "Toyocat TRC",
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    },
    {
      "@value": "Tris(3-dimethylaminopropyl)hexahydro-s-triazine",
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    },
    {
      "@value": "Tris(dimethylaminopropyl)-s-hexahydrotriazine",
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  ],
  "properties": {
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