3-[2-[Bis(2-cyanoethyl)phosphoryl]ethyl-(2-cyanoethyl)phosphoryl]propanenitrile
Basic information
- CAS
32061-28-2- Standard SMILES
N#CCCP(=O)(CCC#N)CCP(=O)(CCC#N)CCC#N- InChIKey
WMDYYLQALAFZQX-UHFFFAOYSA-N- Molecular formula
- C14H20N4O2P2
- Average molar mass
- 338.28 g/mol
- Monoisotopic mass
- 338.10614989
Names & identifiers
- Preferred name
- 3-[2-[Bis(2-cyanoethyl)phosphoryl]ethyl-(2-cyanoethyl)phosphoryl]propanenitrile
- IUPAC
- 3-[2-[bis(2-cyanoethyl)phosphoryl]ethyl-(2-cyanoethyl)phosphoryl]propanenitrile
Names & synonyms
32061-28-2NSC2224753-[2-[bis(2-cyanoethyl)phosphoryl]ethyl-(2-cyanoethyl)phosphoryl]propanenitrileSCHEMBL11355044DTXSID10310107NSC-2224753,3',3'',3'''-(Ethane-1,2-diyldiphosphoryl)tetrapropanenitrile
Database identifiers
- CAS
32061-28-2- PubChem CID
- 312423
- DTXSID
DTXSID10310107
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 543
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Related reactions
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Compound notes
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