[(3-methylphenyl)methyl]hydrazine

• ChemBase ID: 117598
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: N(N)Cc1cc(ccc1)C
• Canonical SMILES: NNCc1cccc(c1)C
• InChI: InChI=1S/C8H12N2/c1-7-3-2-4-8(5-7)6-10-9/h2-5,10H,6,9H2,1H3
• InChIKey: LRDZBVAFUXSPGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 51421-18-2
• MDL Number: MFCD07786536; MFCD07785901
• PubChem SID: 162102499
• PubChem CID: 16774220

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2085478
• LogD (pH = 7.4): 1.4242678
• Log P: 1.4277803
• Molar Refractivity: 54.5495 cm^3
• Polarizability: 16.81738 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.142

Product Information

• Purity: 95+%
• Salt Data: HCl