Basic information
- CAS
73713-49-2- Standard SMILES
CCCC(C)(CC(C)C)NC(C)COC(=O)c1ccc(N)cc1- InChIKey
AXIODGJANBFJNW-UHFFFAOYSA-N- Molecular formula
- C19H32N2O2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.24637827
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 2-(4,6-dimethyl-4-heptylamino)-1-propyl ester
- IUPAC
- 2-(2,4-dimethylheptan-4-ylamino)propyl 4-aminobenzoate
- English name
- 2-(4,6-Dimethylheptan-4-ylamino)propyl=p-aminobenzoate
- Molecular formula
- C19H32N2O2
- Molecular weight
- 320.47
Names & synonyms
p-Aminobenzoic acid 2-(4,6-dimethyl-4-heptylamino)-1-propyl ester73713-49-2BENZOIC ACID, p-AMINO-, 2-(4,6-DIMETHYL-4-HEPTYLAMINO)-1-PROPYL ESTERRefChem:3279032-[(2,4-dimethylheptan-4-yl)amino]propyl 4-aminobenzoateDTXSID409945752-(4,6-Dimethylheptan-4-ylamino)propyl=p-aminobenzoate1-Propanol, 2-[(1,3-dimethyl-1-propylbutyl)amino]-, 1-(4-aminobenzoate)
Database identifiers
- CAS
73713-49-2- PubChem CID
- 52253
- DTXSID
DTXSID40994575- Nikkaji
- J73.835B
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 446.6 · 446.6±25.0 °C(Predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- pka
- 9.02 · 9.02±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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