Basic information
- CAS
69780-97-8- Standard SMILES
CCCC(CCC)[NH2+]C(CC)COC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
KYMCSPBZOWDEIT-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-propylbutylamino)butyl ester, hydrochloride
- IUPAC
- 1-(4-aminobenzoyl)oxybutan-2-yl-heptan-4-ylazanium chloride
Names & synonyms
BENZOIC ACID, p-AMINO-, 2-(1-PROPYLBUTYLAMINO)BUTYL ESTER, HYDROCHLORIDE69780-97-8RefChem:1079283p-Aminobenzoic acid 2-(1-propylbutylamino)butyl ester hydrochlorideNSC 119612
Database identifiers
- CAS
69780-97-8- PubChem CID
- 50722
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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