sec-Butyl o-aminobenzoate
Basic information
- CAS
56298-93-2- Standard SMILES
CCC(C)OC(=O)c1ccccc1N- InChIKey
LIXUXGBVCKMOIZ-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- sec-Butyl o-aminobenzoate
- IUPAC
- butan-2-yl 2-aminobenzoate
- English name
- butan-2-yl 2-aminobenzoate
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
sec-Butyl o-aminobenzoate56298-93-2Benzoic acid, 2-amino-, 1-methylpropyl esterDTXSID30324362RefChem:182123DTXCID60275479LIXUXGBVCKMOIZ-UHFFFAOYSA-Nbutan-2-yl 2-aminobenzoateNSC406510Sec-butyl 2-aminobenzoate #SCHEMBL8546366NSC-406510
Show more names
2-Aminobenzoic acid 1-methylpropyl ester
Database identifiers
- CAS
56298-93-2- PubChem CID
- 347704
- DTXSID
DTXSID30324362- Nikkaji
- J110.731C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 290.6 · 290.6±13.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- pka
- 2.17 · 2.17±0.10(Predicted)
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Related reactions
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Compound notes
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