Trans-n1,n1,n4,n4-tetrakis(2-hydroxyethyl)1,4-cyclohexanedicarboxamide
fo-c5698a4b5be5445c
Identity
- Type
- Neutral molecule
- CAS
- 1215841-86-3
- EC
- 700-597-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
2- 1,4-Cyclohexanedicarboxamide, N1,N1,N4,N4-tetrakis(2-hydroxyethyl)-, trans-
- trans-N1,N1,N4,N4-Tetrakis(2-hydroxyethyl)-1,4-cyclohexanedicarboxamide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | RRAOOBQCQCDRKP-HDJSIYSDSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H30N2O6/c19-9-5-17(6-10-20)15(23)13-1-2-14(4-3-13)16(24)18(7-11-21)8-12-22/h13-14,19-22H,1-12H2/t13-,14- |
| Isomeric SMILES string chemrof:isomeric_smiles_string | O=C([C@H]1CC[C@H](C(=O)N(CCO)CCO)CC1)N(CCO)CCO |
| IUPAC name chemrof:IUPAC_name | 1,4-Cyclohexanedicarboxamide, N1,N1,N4,N4-tetrakis(2-hydroxyethyl)-, trans- |
| Molecular formula chemrof:molecular_formula | C16H30N2O6 |
| Molecular mass chemrof:molecular_mass | 346.424 |
| Monoisotopic mass chemrof:monoisotopic_mass | 346.210387 |
| SMILES string chemrof:smiles_string | O=C(C1CCC(C(=O)N(CCO)CCO)CC1)N(CCO)CCO |
Known URLs
4Where 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=1215841-86-3 | enrich_references.consensus_cas_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID401020570 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/58434361 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q126682517 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1e9c1df0-044a-4e19-9da1-8080907c1f5a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| d0a86aee-afd3-45fb-8bf4-54f2f5d436ff | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e52ce669-f10f-4b29-9e02-919ba12b3906 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 289106c0-8600-4d0d-8571-620fc580201c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2d50384a-6ce6-4920-93f0-59736a297631 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 60195130-a08f-4e08-a5d7-81089196f42a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 68190718-1188-4029-88c4-5c4906052dea | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 0c3cb7c8-83e2-40b0-be1a-0162121ffff1 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| de0e3ffd-1b15-4897-bce5-69c7447ce14e | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 1be8b8b5-c478-4563-ad87-d2c73478c80a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3b60bf15-2df6-4703-87cd-83a499c578c8 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 79c7de8f-dc2c-4b0d-9128-58462fbcec65 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 44e4d2a0-f0ee-43f9-bae4-7272ac27d9ac | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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