Carbamic acid, (bis(1-aziridinyl)phosphinyl)-, cyclohexyl ester

HCID 51118

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Basic information

CAS: 70647-61-9
Standard SMILES: O=C(NP(=O)(N1CC1)N1CC1)OC1CCCCC1
InChIKey: WZMIHMQOTALNNH-UHFFFAOYSA-N
Molecular formula: C11H20N3O3P
Average molar mass: 273.27 g/mol
Monoisotopic mass: 273.12422851

Names & identifiers

Preferred name: Carbamic acid, (bis(1-aziridinyl)phosphinyl)-, cyclohexyl ester
IUPAC: cyclohexyl N-[bis(aziridin-1-yl)phosphoryl]carbamate

Names & synonyms

70647-61-9CARBAMIC ACID, (BIS(1-AZIRIDINYL)PHOSPHINYL)-, CYCLOHEXYL ESTER(Bis(1-aziridinyl)phosphinyl)carbamic acid cyclohexyl esterDTXSID00220928RefChem:332215DTXCID30143419cyclohexyl [bis(aziridin-1-yl)phosphoryl]carbamate

Database identifiers

CAS: 70647-61-9
PubChem CID: 51118
DTXSID: DTXSID00220928
Nikkaji: J67.514H

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 360

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