Basic information
- CAS
103982-02-1- Standard SMILES
CCOP(=O)(NCC(C)CC)Oc1ccccc1C(=O)OC(C)C- InChIKey
HOIGZOXRVCFPEN-UHFFFAOYSA-N- Molecular formula
- C17H28NO5P
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.17050999
Names & identifiers
- Preferred name
- Propan-2-yl 2-({ethoxy[(2-methylbutyl)amino]phosphoryl}oxy)benzoate
- IUPAC
- propan-2-yl 2-[ethoxy-(2-methylbutylamino)phosphoryl]oxybenzoate
Names & synonyms
103982-02-1propan-2-yl 2-({ethoxy[(2-methylbutyl)amino]phosphoryl}oxy)benzoateDTXSID50908704Benzoic acid, 2-((ethoxy((2-methylbutyl)amino)phosphinyl)oxy)-, 1-methylethyl ester
Database identifiers
- CAS
103982-02-1- PubChem CID
- 190641
- DTXSID
DTXSID50908704
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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