N-[aziridin-1-yl-[bis(2-chloroethyl)amino]phosphoryl]cyclohexanamine

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Basic information

CAS: 18228-95-0
Standard SMILES: O=P(NC1CCCCC1)(N(CCCl)CCCl)N1CC1
InChIKey: YPIMYGPZNLZWOQ-UHFFFAOYSA-N
Molecular formula: C12H24Cl2N3OP
Average molar mass: 328.22 g/mol
Monoisotopic mass: 327.1034048

Names & identifiers

Preferred name: N-[aziridin-1-yl-[bis(2-chloroethyl)amino]phosphoryl]cyclohexanamine
IUPAC: N-[aziridin-1-yl-[bis(2-chloroethyl)amino]phosphoryl]cyclohexanamine

Names & synonyms

18228-95-0NSC76341N-[aziridin-1-yl-[bis(2-chloroethyl)amino]phosphoryl]cyclohexanamineDTXSID90328987NSC-76341Phosphonic diamide,N-bis(2-chloroethyl)-N'-cyclohexyl-P-(Aziridin-1-yl)-N,N-bis(2-chloroethyl)-N'-cyclohexylphosphonic diamide

Database identifiers

CAS: 18228-95-0
PubChem CID: 416161
DTXSID: DTXSID90328987

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 35.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 316

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