Benzoic acid, p-amino-, 1,1-dimethyl-2-((1-methylhexyl)amino)ethyl ester, hydrochloride
Basic information
- CAS
69781-33-5- Standard SMILES
CCCCCC(C)[NH2+]CC(C)(C)OC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
PMXMTOSSHSIEDI-UHFFFAOYSA-N- Molecular formula
- C18H31ClN2O2
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.2074059
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 1,1-dimethyl-2-((1-methylhexyl)amino)ethyl ester, hydrochloride
- IUPAC
- [2-(4-aminobenzoyl)oxy-2-methylpropyl]-heptan-2-ylazanium chloride
Names & synonyms
Benzoic acid, p-amino-, 1,1-dimethyl-2-((1-methylhexyl)amino)ethyl ester, hydrochloride2-Propanol, 2-methyl-1-((1-methylhexyl)amino)-, 4-aminobenzoate (ester), hydrochloridep-Aminobenzoic acid (2-(1-methylhexylamino)-1,1-dimethyl)ethyl ester hydrochloridep-Aminobenzoic acid 1,1-dimethyl-2-((1-methylhexyl)amino)ethyl ester hydrochloride69781-33-5RefChem:327872
Database identifiers
- CAS
69781-33-5- PubChem CID
- 50764
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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