Basic information
- CAS
69781-72-2- Standard SMILES
CCCCC(CCCC)[NH2+]CCOC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
DGOWJNLLFKWFRI-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-((1-butylpentyl)amino)ethyl ester, hydrochloride
- IUPAC
- 2-(4-aminobenzoyl)oxyethyl-nonan-5-ylazanium chloride
Names & synonyms
p-Aminobenzoic acid 2-((1-butylpentyl)amino)ethyl ester hydrochlorideBENZOIC ACID, p-AMINO-, 2-((1-BUTYLPENTYL)AMINO)ETHYL ESTER, HYDROCHLORIDENSC 12790969781-72-2RefChem:327880
Database identifiers
- CAS
69781-72-2- PubChem CID
- 50829
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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