Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride
Basic information
- CAS
78329-78-9- Standard SMILES
CC[NH+](CC)CCCC(C)OC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
PFTWLDBHMWDKOP-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.1761058
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride
- IUPAC
- 4-(4-aminobenzoyl)oxypentyl-diethylazanium chloride
Names & synonyms
78329-78-9BENZOIC ACID, p-AMINO-, 5-(DIETHYLAMINO)-2-PENTYL ESTER, HYDROCHLORIDERefChem:1079305C 4199p-Aminobenzoic acid, 5-(diethylamino)-2-pentyl ester, hydrochloride4-(4-AMINOBENZOYL)OXYPENTYL-DIETHYL-AZANIUM CHLORIDE
Database identifiers
- CAS
78329-78-9- PubChem CID
- 54167
Properties
Computed structural properties
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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