[(4-methylphenyl)methyl]hydrazine dihydrochloride

• ChemBase ID: 15549
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: c1cc(ccc1C)CNN.Cl.Cl
• Canonical SMILES: NNCc1ccc(cc1)C.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-7-2-4-8(5-3-7)6-10-9;;/h2-5,10H,6,9H2,1H3;2*1H
• InChIKey: LASAOSVLPBEFEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methylphenyl)methyl]hydrazine dihydrochloride
• IUPAC Traditional name: [(4-methylphenyl)methyl]hydrazine dihydrochloride
• Synonyms: (4-Methylbenzyl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD06800973
• PubChem SID: 160978856
• PubChem CID: 45074960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2052066
• LogD (pH = 7.4): 1.4241337
• Log P: 1.4277803
• Molar Refractivity: 54.5495 cm^3
• Polarizability: 16.817343 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false