Basic information
- CAS
4706-15-4- Standard SMILES
CCCCCCC(C)Nc1cc(N)ccc1C(=O)OCC(C)C- InChIKey
HQTQNLPXPPYNLO-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-(2-octylamino)-2,2-dimethylethyl ester
- IUPAC
- 2-methylpropyl 4-amino-2-(octan-2-ylamino)benzoate
- English name
- 4-Aminobenzoic acid 2-methyl-2-[(1-methylheptyl)amino]propyl ester
- Molecular formula
- C19H32N2O2
- Molecular weight
- 320.47
Names & synonyms
p-Aminobenzoic acid 2-(2-octylamino)-2,2-dimethylethyl ester4706-15-4BENZOIC ACID, p-AMINO-, 2-(2-OCTYLAMINO)-2,2-DIMETHYLETHYL ESTERRefChem:327901DTXSID509637322-Methylpropyl 4-amino-2-[(octan-2-yl)amino]benzoate4-Aminobenzoic acid 2-methyl-2-[(1-methylheptyl)amino]propyl ester1-Propanol, 2-methyl-2-[(1-methylheptyl)amino]-, 1-(4-aminobenzoate)
Database identifiers
- CAS
4706-15-4- PubChem CID
- 20829
- DTXSID
DTXSID50963732
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 451.2 · 451.2±25.0 °C(Predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Predicted)
- pka
- 8.8 · 8.80±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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