N-[aziridin-1-yl(phenoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine

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Basic information

CAS: 4798-76-9
Standard SMILES: O=P(Oc1ccccc1)(N(CCCl)CCCl)N1CC1
InChIKey: VJYJQPWEXZGNPT-UHFFFAOYSA-N
Molecular formula: C12H17Cl2N2O2P
Average molar mass: 323.15 g/mol
Monoisotopic mass: 322.0404702

Names & identifiers

Preferred name: N-[aziridin-1-yl(phenoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
IUPAC: N-[aziridin-1-yl(phenoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine

Names & synonyms

4798-76-9NSC69941N-[aziridin-1-yl(phenoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamineDTXSID60328939NSC-69941Phosphonamidic acid,N-bis(2-chloroethyl)-, phenyl esterPhenyl P-(aziridin-1-yl)-N,N-bis(2-chloroethyl)phosphonamidate

Database identifiers

CAS: 4798-76-9
PubChem CID: 415430
DTXSID: DTXSID60328939

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 317

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