[(3-chlorophenyl)methyl]hydrazine

• ChemBase ID: 117600
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: N(N)Cc1cc(Cl)ccc1
• Canonical SMILES: NNCc1cccc(c1)Cl
• InChI: InChI=1S/C7H9ClN2/c8-7-3-1-2-6(4-7)5-10-9/h1-4,10H,5,9H2
• InChIKey: LZWGHTUFBHAOHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-chlorophenyl)methyl]hydrazine
• IUPAC Traditional name: [(3-chlorophenyl)methyl]hydrazine
• Synonyms: (3-chlorobenzyl)hydrazine; (3-chlorobenzyl)hydrazine hydrochloride

Database IDs

• CAS Number: 51421-12-6
• MDL Number: MFCD13186199; MFCD07643259
• PubChem SID: 162090015
• PubChem CID: 7219929

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.328382
• LogD (pH = 7.4): 1.5154483
• Log P: 1.5184035
• Molar Refractivity: 54.3131 cm^3
• Polarizability: 16.87807 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.436

Product Information

• Purity: 95+%
• Salt Data: HCl