Benzoic acid, p-amino-, (2-(isopropylamino)-2-methyl)propyl ester, hydrochloride
Basic information
- CAS
69781-21-1- Standard SMILES
CC(C)[NH2+]C(C)(C)COC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
MDGFQSRIJRVJCV-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)-2-methyl)propyl ester, hydrochloride
- IUPAC
- [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-propan-2-ylazanium chloride
Names & synonyms
p-Aminobenzoic acid (2-(isopropylamino)-2-methyl)propyl ester hydrochlorideBENZOIC ACID, p-AMINO-, (2-(ISOPROPYLAMINO)-2-METHYL)PROPYL ESTER, HYDROCHLORIDE69781-21-1RefChem:327867
Database identifiers
- CAS
69781-21-1- PubChem CID
- 50745
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
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Compound notes
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