1-(dimethylamino)-2-methylbutan-2-yl benzoate

• ChemBase ID: 125853
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: O=C(OC(C)(CC)CN(C)C)c1ccccc1
• Canonical SMILES: CCC(OC(=O)c1ccccc1)(CN(C)C)C
• InChI: InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3
• InChIKey: FDMBBCOBEAVDAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylamino)-2-methylbutan-2-yl benzoate
• IUPAC Traditional name: stovaine
• Synonyms: Amylocaine

Database IDs

• CAS Number: 644-26-8
• PubChem SID: 162220198
• PubChem CID: 10767
• Chemspider ID: 10312
• KEGG ID: D07454
• Unique Ingredient Identifier: QRW683O56T
• Wikipedia Title: Amylocaine

CALCULATED PROPERTIES

• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.06276541
• LogD (pH = 7.4): 1.6965091
• Log P: 3.2150414
• Molar Refractivity: 69.6834 cm^3
• Polarizability: 27.328346 Å^3