Basic information
- CAS
78996-70-0- Standard SMILES
O=P(N(CCCl)CCCl)(n1ccnc1)n1ccnc1- InChIKey
QNUMFCHMNCRBFP-UHFFFAOYSA-N- Molecular formula
- C10H14Cl2N5OP
- Average molar mass
- 322.13 g/mol
- Monoisotopic mass
- 321.0313025
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-P,P-di-1H-imidazol-1-ylphosphinic amide
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-di(imidazol-1-yl)phosphorylethanamine
Names & synonyms
78996-70-0NSC266010DTXSID40330494N,N-Bis(2-chloroethyl)-P,P-di-1H-imidazol-1-ylphosphinic amideNSC-266010N,N-Bis(2-chloroethyl)-P,P-di(1H-imidazol-1-yl)phosphinic amidePhosphinic amide,N-bis(2-chloroethyl)-P,P-di-1H-imidazol-1-yl-
Database identifiers
- CAS
78996-70-0- PubChem CID
- 429862
- DTXSID
DTXSID40330494
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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