4-(aminomethyl)-3-chloroaniline

• ChemBase ID: 240923
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: c1(c(ccc(c1)N)CN)Cl
• Canonical SMILES: NCc1ccc(cc1Cl)N
• InChI: InChI=1S/C7H9ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2
• InChIKey: UGSXRYXRWBKDFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-3-chloroaniline
• IUPAC Traditional name: 4-(aminomethyl)-3-chloroaniline
• Synonyms: 4-(aminomethyl)-3-chloroaniline

Database IDs

• MDL Number: MFCD06213248
• PubChem SID: 164296833
• PubChem CID: 62946364

CALCULATED PROPERTIES

• Molar Refractivity: 44.0366 cm^3
• Polarizability: 16.697807 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.097843
• LogD (pH = 7.4): -1.0343202
• Log P: 0.874133

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.86

Product Information

• Purity: 95%