Phosphinic acid, (1-aziridinyl)morpholino-, p-phenylene ester

HCID 214765

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Basic information

CAS: 34180-22-8
Standard SMILES: O=P(Oc1ccc(OP(=O)(N2CCOCC2)N2CC2)cc1)(N1CCOCC1)N1CC1
InChIKey: ADUFPBCBTUMBJD-UHFFFAOYSA-N
Molecular formula: C18H28N4O6P2
Average molar mass: 458.4 g/mol
Monoisotopic mass: 458.14840862

Names & identifiers

Preferred name: Phosphinic acid, (1-aziridinyl)morpholino-, p-phenylene ester
IUPAC: 4-[aziridin-1-yl-[4-[aziridin-1-yl(morpholin-4-yl)phosphoryl]oxyphenoxy]phosphoryl]morpholine

Names & synonyms

BRN 1194506(1-Aziridinyl)morpholinophosphinic acid p-phenylene ester34180-22-8Phosphinic acid, (1-aziridinyl)morpholino-, p-phenylene esterRefChem:370172DTXSID40955727ADUFPBCBTUMBJD-UHFFFAOYSA-N1,4-Phenylene bis[aziridin-1-yl(morpholin-4-yl)(phosphinate)]

Database identifiers

CAS: 34180-22-8
PubChem CID: 214765
DTXSID: DTXSID40955727

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 628

Related reactions

1 records

New reaction record

HRID 2215878As reactantuspto-grants-2006_09

Compound notes

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