Diethyl methyl diethylamidodiphosphate

HCID 12236

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Basic information

CAS: 625-13-8
Standard SMILES: CCOP(=O)(OCC)OP(=O)(OC)N(CC)CC
InChIKey: BPVMXDTYQFIEOB-UHFFFAOYSA-N
Molecular formula: C9H23NO6P2
Average molar mass: 303.23 g/mol
Monoisotopic mass: 303.10006145

Names & identifiers

Preferred name: Diethyl methyl diethylamidodiphosphate
IUPAC: [diethylamino(methoxy)phosphoryl] diethyl phosphate

Names & synonyms

625-13-8DTXSID10978089Diethyl methyl diethylamidodiphosphateRefChem:1083501DTXCID401405417AMIDODIPHOSPHORIC ACID, DIETHYL-, P',P'-DIETHYL P-METHYL ESTER4035 HCBRN 2382431Amidopyrophosphoric acid, diethyl-, P',P'-diethyl P-methyl esterSCHEMBL31666405

Database identifiers

CAS: 625-13-8
PubChem CID: 12236
DTXSID: DTXSID10978089

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 74.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 18
Formal charge: 0
Complexity: 310

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