Benzoic acid, p-amino-, 1,1-dimethyl-2-((1-methylheptyl)amino)ethyl ester, hydrochloride
Basic information
- CAS
69781-51-7- Standard SMILES
CCCCCCC(C)[NH2+]CC(C)(C)OC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
ZESGCIFWLRGJOS-UHFFFAOYSA-N- Molecular formula
- C19H33ClN2O2
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.223056
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 1,1-dimethyl-2-((1-methylheptyl)amino)ethyl ester, hydrochloride
- IUPAC
- [2-(4-aminobenzoyl)oxy-2-methylpropyl]-octan-2-ylazanium chloride
Names & synonyms
Benzoic acid, p-amino-, 1,1-dimethyl-2-((1-methylheptyl)amino)ethyl ester, hydrochloride69781-51-7RefChem:1079269p-Aminobenzoic acid 1,1-dimethyl-2-((1-methylheptyl)amino)ethyl ester hydrochlorideNSC 121065
Database identifiers
- CAS
69781-51-7- PubChem CID
- 50799
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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