Basic information
- CAS
69781-74-4- Standard SMILES
CCCCC(CCCC)[NH2+]C(C)COC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
YANLMORMQKOMOW-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)propyl ester, hydrochloride
- IUPAC
- 1-(4-aminobenzoyl)oxypropan-2-yl-nonan-5-ylazanium chloride
Names & synonyms
BENZOIC ACID, p-AMINO-, 2-((1-BUTYLPENTYL)AMINO)PROPYL ESTER, HYDROCHLORIDE69781-74-4RefChem:1079272p-Aminobenzoic acid 2-((1-butylpentyl)amino)propyl ester hydrochlorideNSC 119617
Database identifiers
- CAS
69781-74-4- PubChem CID
- 50833
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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