3,3',3''-(1,3,5-triazinane-1,3,5-triyl)tris(n,n-dimethylpropan-1-amine)
fo-144b047c5b8deeb3
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
Alternative labels
28- 1,3,5-Tri(3-dimethylaminopropyl)hexahydro-1,3,5-triazine
- 1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanamine, N,N,N′,N′,N′′,N′′-hexamethyl-
- 1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanamine, N1,N1,N3,N3,N5,N5-hexamethyl-
- 1,3,5-Tris(N,N-dimethyl-3-aminopropyl)-s-hexahydrotriazine
- 1,3,5-Tris[3-(dimethylamino)propyl]-s-hexahydrotriazine
- 1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine
- 2,4,6-Tris[(3-dimethylamino)propyl]hexahydrotriazine
- 3,3′,3′′-(1,3,5-Triazinane-1,3,5-triyl)tris(N,N-dimethylpropan-1-amine)
- Desmorapid
- Jeffcat TR 90
- Kaolizer 14
- Lupragen N 600
- Minico R 141
- N,N,N′,N′,N′′,N′′-Hexamethyl-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropanamine
- N,N′,N′′-Tris(3-dimethylaminopropyl)hexahydro-s-triazine
- N,N′,N′′-Tris(dimethylaminopropyl)-s-hexahydrotriazine
- N,N′,N′′-Tris(dimethylaminopropyl)-sym-hexahydrotriazine
- N1,N1,N3,N3,N5,N5-Hexamethyl-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropanamine
- Niax C 41
- Niax Catalyst C 41
- PC CAT NP 40
- Polycat 41
- Polycat P 41
- s-Triazine, 1,3,5-tris[3-(dimethylamino)propyl]hexahydro-
- Tegoamin 41
- Toyocat TRC
- Tris(3-dimethylaminopropyl)hexahydro-s-triazine
- Tris(dimethylaminopropyl)-s-hexahydrotriazine
Properties
| Property | Value |
|---|---|
| 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
8Where 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 | 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)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works