Basic information
- CAS
69781-73-3- Standard SMILES
CCCCC(CCCC)[NH2+]CC(C)OC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
JYECOOGNUFYJNK-UHFFFAOYSA-N- Molecular formula
- C19H33ClN2O2
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.223056
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, (2-((1-butylpentyl)amino)-1-methyl)ethyl ester, hydrochloride
- IUPAC
- 2-(4-aminobenzoyl)oxypropyl-nonan-5-ylazanium chloride
Names & synonyms
Benzoic acid, p-amino-, (2-((1-butylpentyl)amino)-1-methyl)ethyl ester, hydrochlorideRefChem:107926369781-73-3p-Aminobenzoic acid (2-((1-butylpentyl)amino)-1-methyl)ethyl ester hydrochlorideNSC 126570
Database identifiers
- CAS
69781-73-3- PubChem CID
- 50831
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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