Propan-2-yl 2-(ethoxy-(2-methylpropylamino)phosphoryl)oxybenzoate

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Basic information

CAS: 96183-12-9
Standard SMILES: CCOP(=O)(NCC(C)C)Oc1ccccc1C(=O)OC(C)C
InChIKey: DCDBFJSYFZJOHC-UHFFFAOYSA-N
Molecular formula: C16H26NO5P
Average molar mass: 343.35 g/mol
Monoisotopic mass: 343.15485993

Names & identifiers

Preferred name: Propan-2-yl 2-(ethoxy-(2-methylpropylamino)phosphoryl)oxybenzoate
IUPAC: propan-2-yl 2-[ethoxy-(2-methylpropylamino)phosphoryl]oxybenzoate

Names & synonyms

96183-12-9Propan-2-yl 2-(ethoxy-(2-methylpropylamino)phosphoryl)oxybenzoateDTXSID30914621Benzoic acid, 2-((ethoxy(2-methylpropylamino)phosphinyl)oxy)-, 1-methylethyl esterPropan-2-yl 2-({ethoxy[(2-methylpropyl)amino]phosphoryl}oxy)benzoate

Database identifiers

CAS: 96183-12-9
PubChem CID: 180691
DTXSID: DTXSID30914621

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 73.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 23
Formal charge: 0
Complexity: 413

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Compound notes

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