2-amino-N-cyclopropylbenzamide

• ChemBase ID: 55980
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: C(=O)(c1c(N)cccc1)NC1CC1
• Canonical SMILES: O=C(c1ccccc1N)NC1CC1
• InChI: InChI=1S/C10H12N2O/c11-9-4-2-1-3-8(9)10(13)12-7-5-6-7/h1-4,7H,5-6,11H2,(H,12,13)
• InChIKey: YGCVNEQVUUMKJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopropylbenzamide
• IUPAC Traditional name: 2-amino-N-cyclopropylbenzamide
• Synonyms: 2-Amino-N-cyclopropylbenzamide

Database IDs

• CAS Number: 30510-67-9
• MDL Number: MFCD03015446
• PubChem SID: 162060743
• PubChem CID: 2060007

CALCULATED PROPERTIES

• Acid pKa: 15.505978
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3332903
• LogD (pH = 7.4): 1.3341893
• Log P: 1.3342007
• Molar Refractivity: 51.9447 cm^3
• Polarizability: 19.095978 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 0.908

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%