Basic information
- CAS
55250-95-8- Standard SMILES
N#CCCOP(N)(=O)N(CCCl)CCCl- InChIKey
XGWPSOQVBPZWOT-UHFFFAOYSA-N- Molecular formula
- C7H14Cl2N3O2P
- Average molar mass
- 274.08 g/mol
- Monoisotopic mass
- 273.0200691
Names & identifiers
- Preferred name
- 2-Cyanoethyl n,n-bis(2-chloroethyl)phosphorodiamidate
- IUPAC
- 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanenitrile
Names & synonyms
55250-95-82-cyanoethyl n,n-bis(2-chloroethyl)phosphorodiamidateNSC154035DTXSID70302821NSC-154035
Database identifiers
- CAS
55250-95-8- PubChem CID
- 290490
- DTXSID
DTXSID70302821
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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