Einecs 250-876-5
Basic information
- CAS
31970-90-8- Standard SMILES
Nc1nc(N)nc(N)n1.O=C(O)CCCCCCCCC(=O)O- InChIKey
YRNURYHCEJJLHP-UHFFFAOYSA-N- Molecular formula
- C13H24N6O4
- Average molar mass
- 328.37 g/mol
- Monoisotopic mass
- 328.18590327
Names & identifiers
- Preferred name
- Einecs 250-876-5
- IUPAC
- decanedioic acid;1,3,5-triazine-2,4,6-triamine
- English name
- sebacic acid, compound with 1,3,5-triazine-2,4,6-triamine
- Molecular formula
- C13H24N6O4
- Molecular weight
- 328.37
Names & synonyms
31970-90-894159-18-9Sebacic acid, compound with 1,3,5-triazine-2,4,6-triamineEINECS 250-876-5EINECS 303-194-8NSC254528DTXSID90916247Sebacic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:1)NSC 254528NSC-254528NS00084445NS00093021
Show more names
Decanedioic acid--1,3,5-triazinane-2,4,6-triimine (1/1)
Database identifiers
- CAS
31970-90-8、94159-18-9- PubChem CID
- 318345
- DTXSID
DTXSID90916247- EC Number
- 250-876-5、303-194-8
Properties
Computed structural properties
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 220
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Compound notes
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