[(2-methylphenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 255381
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: c1(c(C)cccc1)CNN.Cl
• Canonical SMILES: NNCc1ccccc1C.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-7-4-2-3-5-8(7)6-10-9;/h2-5,10H,6,9H2,1H3;1H
• InChIKey: UUDPCXFREQZQQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1059626-06-0
• MDL Number: MFCD07785900
• PubChem SID: 164311291
• PubChem CID: 42940672

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2080028
• LogD (pH = 7.4): 1.4241918
• 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

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 1.153

Product Information

• Purity: 95%