Benzoic acid, p-amino-, 2-(isopropylamino)butyl ester, hydrochloride
Basic information
- CAS
69781-22-2- Standard SMILES
CCC(COC(=O)c1ccc(N)cc1)[NH2+]C(C)C.[Cl-]- InChIKey
KEZYGOIGXNOIOU-UHFFFAOYSA-N- Molecular formula
- C14H23ClN2O2
- Average molar mass
- 286.8 g/mol
- Monoisotopic mass
- 286.1448057
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 2-(isopropylamino)butyl ester, hydrochloride
- IUPAC
- 1-(4-aminobenzoyl)oxybutan-2-yl-propan-2-ylazanium chloride
Names & synonyms
BENZOIC ACID, p-AMINO-, 2-(ISOPROPYLAMINO)BUTYL ESTER, HYDROCHLORIDE69781-22-2RefChem:1079291p-Aminobenzoic acid 2-(isopropylamino)butyl ester hydrochlorideNSC 128044
Database identifiers
- CAS
69781-22-2- PubChem CID
- 50746
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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