[(2-methylphenyl)methyl]hydrazine

• ChemBase ID: 117599
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(c(C)cccc1)CNN
• Canonical SMILES: NNCc1ccccc1C
• InChI: InChI=1S/C8H12N2/c1-7-4-2-3-5-8(7)6-10-9/h2-5,10H,6,9H2,1H3
• InChIKey: IXRQTCDPQZMNSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methylphenyl)methyl]hydrazine
• IUPAC Traditional name: [(2-methylphenyl)methyl]hydrazine
• Synonyms: [(2-methylphenyl)methyl]hydrazine; (2-methylbenzyl)hydrazine hydrochloride; (2-methylbenzyl)hydrazine

Database IDs

• CAS Number: 51859-94-0
• MDL Number: MFCD09048795; MFCD07785900
• PubChem SID: 162091100
• PubChem CID: 12883868

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2047248
• LogD (pH = 7.4): 1.424191
• Log P: 1.4277803
• Molar Refractivity: 54.5495 cm^3
• Polarizability: 16.817623 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.103
• Hydrophobicity(logP): 1.153

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl