Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride
Basic information
- CAS
67032-13-7- Standard SMILES
CCC(COC(=O)c1ccccc1)[NH2+]C(C)C.[Cl-]- InChIKey
MKRYTLREBOHTGD-UHFFFAOYSA-N- Molecular formula
- C14H22ClNO2
- Average molar mass
- 271.78 g/mol
- Monoisotopic mass
- 271.1339066
Names & identifiers
- Preferred name
- Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride
- IUPAC
- 1-benzoyloxybutan-2-yl(propan-2-yl)azanium chloride
Names & synonyms
BENZOIC ACID, 2-(ISOPROPYLAMINO)BUTYL ESTER, HYDROCHLORIDE67032-13-7RefChem:1078970NSC 119569
Database identifiers
- CAS
67032-13-7- PubChem CID
- 48986
Properties
Computed structural properties
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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