Basic information
- CAS
154316-31-1- Standard SMILES
N#CCCN(CCC#N)P(=O)(N(CCC#N)CCC#N)N(CCC#N)CCC#N- InChIKey
QWMZEOSPPHNIIP-UHFFFAOYSA-N- Molecular formula
- C18H24N9OP
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.18414342
Names & identifiers
- Preferred name
- Phosphoric triamide, hexakis(2-cyanoethyl)-
- IUPAC
- 3-[bis[bis(2-cyanoethyl)amino]phosphoryl-(2-cyanoethyl)amino]propanenitrile
Names & synonyms
Phosphoric triamide, hexakis(2-cyanoethyl)-NSC23221154316-31-1DTXSID00281837NSC-23221N,N,N',N',N'',N''-Hexakis(2-cyanoethyl)phosphoric triamide
Database identifiers
- CAS
154316-31-1- PubChem CID
- 229495
- DTXSID
DTXSID00281837
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 684
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…