4-[(cyclopropylamino)methyl]aniline

• ChemBase ID: 273538
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: C1(CC1)NCc1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)CNC1CC1
• InChI: InChI=1S/C10H14N2/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7,11H2
• InChIKey: ZQSPJDFQWLYSMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(cyclopropylamino)methyl]aniline
• IUPAC Traditional name: 4-[(cyclopropylamino)methyl]aniline
• Synonyms: 4-[(cyclopropylamino)methyl]aniline

Database IDs

• MDL Number: MFCD11223484
• PubChem SID: 164329448
• PubChem CID: 51978634

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.030088
• LogD (pH = 7.4): -0.9838966
• Log P: 1.1682333
• Molar Refractivity: 51.2176 cm^3
• Polarizability: 19.655472 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.867

Product Information

• Purity: 95%