Basic information
- CAS
73728-38-8- Standard SMILES
CCCCCC(C)[NH2+]C(C)(C)COC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
QMAKKLKJKVUIPW-UHFFFAOYSA-N- Molecular formula
- C18H31ClN2O2
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.2074059
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 2,2-dimethyl-2-(1-methylhexyl)aminoethyl ester, hydrochloride
- IUPAC
- [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-heptan-2-ylazanium chloride
Names & synonyms
Benzoic acid, p-amino-, 2,2-dimethyl-2-(1-methylhexyl)aminoethyl ester, hydrochloridep-Aminobenzoic acid, 2,2-dimethyl-2-(1-methylhexyl)aminoethyl ester, hydrochloride73728-38-81-Propanol, 2-methyl-2-((1-methylhexyl)amino)-, 4-aminobenzoate (ester), hydrochlorideRefChem:327879
Database identifiers
- CAS
73728-38-8- PubChem CID
- 52292
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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