Phosphinic acid, (1-aziridinyl)morpholino-, p-((bis(1-aziridinyl)phosphinyl)oxy)phenyl ester

HCID 214764

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Basic information

CAS: 34180-20-6
Standard SMILES: O=P(Oc1ccc(OP(=O)(N2CC2)N2CC2)cc1)(N1CCOCC1)N1CC1
InChIKey: CAPLAJGKUAWUIL-UHFFFAOYSA-N
Molecular formula: C16H24N4O5P2
Average molar mass: 414.33 g/mol
Monoisotopic mass: 414.12219387

Names & identifiers

Preferred name: Phosphinic acid, (1-aziridinyl)morpholino-, p-((bis(1-aziridinyl)phosphinyl)oxy)phenyl ester
IUPAC: 4-[aziridin-1-yl-[4-[bis(aziridin-1-yl)phosphoryloxy]phenoxy]phosphoryl]morpholine

Names & synonyms

Phosphinic acid, (1-aziridinyl)morpholino-, p-((bis(1-aziridinyl)phosphinyl)oxy)phenyl ester34180-20-6RefChem:1095098BRN 1186791(1-Aziridinyl)morpholinophosphinic acid ((bis(1-aziridinyl)phosphinyl)oxy)phenyl esterA 207

Database identifiers

CAS: 34180-20-6
PubChem CID: 214764

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 74.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 625

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