N-(4-aminophenyl)cyclopropanecarboxamide

• ChemBase ID: 22886
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: C(=O)(C1CC1)Nc1ccc(N)cc1
• Canonical SMILES: O=C(C1CC1)Nc1ccc(cc1)N
• InChI: InChI=1S/C10H12N2O/c11-8-3-5-9(6-4-8)12-10(13)7-1-2-7/h3-7H,1-2,11H2,(H,12,13)
• InChIKey: QKOLSDDMVFYWJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(4-aminophenyl)cyclopropanecarboxamide
• Synonyms: N-(4-Aminophenyl)cyclopropanecarboxamide

Database IDs

• CAS Number: 74617-73-5
• MDL Number: MFCD08593619
• PubChem SID: 160986193
• PubChem CID: 16227631

CALCULATED PROPERTIES

• Acid pKa: 15.684721
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.147769
• LogD (pH = 7.4): 1.1616466
• Log P: 1.1618265
• Molar Refractivity: 53.0206 cm^3
• Polarizability: 19.29939 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.288

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%