Benzoic acid, 2-((ethoxy((1-ethylpropyl)amino)phosphinyl)oxy)-, 1-methylethyl ester

HCID 190643

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Basic information

CAS: 103982-04-3
Standard SMILES: CCOP(=O)(NC(CC)CC)Oc1ccccc1C(=O)OC(C)C
InChIKey: MMDDREPKJGYIAM-UHFFFAOYSA-N
Molecular formula: C17H28NO5P
Average molar mass: 357.4 g/mol
Monoisotopic mass: 357.17050999

Names & identifiers

Preferred name: Benzoic acid, 2-((ethoxy((1-ethylpropyl)amino)phosphinyl)oxy)-, 1-methylethyl ester
IUPAC: propan-2-yl 2-[ethoxy-(pentan-3-ylamino)phosphoryl]oxybenzoate

Names & synonyms

103982-04-3Benzoic acid, 2-((ethoxy((1-ethylpropyl)amino)phosphinyl)oxy)-, 1-methylethyl esterDTXSID70908706Propan-2-yl 2-({ethoxy[(pentan-3-yl)amino]phosphoryl}oxy)benzoate

Database identifiers

CAS: 103982-04-3
PubChem CID: 190643
DTXSID: DTXSID70908706

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 73.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 11
Heavy atoms: 24
Formal charge: 0
Complexity: 425

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