2-amino-N-(butan-2-yl)benzamide

• ChemBase ID: 21927
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(c1c(N)cccc1)NC(CC)C
• Canonical SMILES: CCC(NC(=O)c1ccccc1N)C
• InChI: InChI=1S/C11H16N2O/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12/h4-8H,3,12H2,1-2H3,(H,13,14)
• InChIKey: UOKULICTTSTSHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(butan-2-yl)benzamide
• IUPAC Traditional name: 2-amino-N-(sec-butyl)benzamide
• Synonyms: 2-Amino-N-(but-2-yl)benzamide; 2-Amino-N-sec-butylbenzamide; 2-Amino-N-(sec-butyl)benzamide; 2-氨基-N-仲-丁基苯甲酰胺

Database IDs

• CAS Number: 30391-87-8
• MDL Number: MFCD00116303
• PubChem SID: 160985234
• PubChem CID: 2774307

CALCULATED PROPERTIES

• Acid pKa: 15.509967
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.163456
• LogD (pH = 7.4): 2.164528
• Log P: 2.1645415
• Molar Refractivity: 58.4249 cm^3
• Polarizability: 21.665216 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A