Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate
Basic information
- CAS
96183-13-0- Standard SMILES
CCOP(=O)(NC(C)CC)Oc1ccccc1C(=O)OC(C)C- InChIKey
AQRBWPHHSRKRSZ-UHFFFAOYSA-N- Molecular formula
- C16H26NO5P
- Average molar mass
- 343.35 g/mol
- Monoisotopic mass
- 343.15485993
Names & identifiers
- Preferred name
- Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate
- IUPAC
- propan-2-yl 2-[(butan-2-ylamino)-ethoxyphosphoryl]oxybenzoate
Names & synonyms
96183-13-0Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoateDTXSID70914620Benzoic acid, 2-(((2-butylamino)ethoxyphosphinyl)oxy)-, 1-methylethyl esterPropan-2-yl 2-({[(butan-2-yl)amino](ethoxy)phosphoryl}oxy)benzoate
Database identifiers
- CAS
96183-13-0- PubChem CID
- 180692
- DTXSID
DTXSID70914620
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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