N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride
Basic information
- CAS
53382-89-1- Standard SMILES
Cc1ccc(NP(=O)(Cl)N(CCCl)CCCl)cc1- InChIKey
FCNALKWCVZMGMW-UHFFFAOYSA-N- Molecular formula
- C11H16Cl3N2OP
- Average molar mass
- 329.6 g/mol
- Monoisotopic mass
- 328.006583
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride
- IUPAC
- N-[bis(2-chloroethyl)amino-chlorophosphoryl]-4-methylaniline
Names & synonyms
53382-89-1NSC289353CHEMBL3229288DTXSID80314854N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chlorideNSC-289353Phosphorodiamidic chloride,N-bis(2-chloroethyl)-N'-(4-methylphenyl)-
Database identifiers
- CAS
53382-89-1- PubChem CID
- 324308
- DTXSID
DTXSID80314854- ChEMBL
CHEMBL3229288
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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