(naphthalen-1-ylmethyl)hydrazine dihydrochloride

• ChemBase ID: 257551
• Molecular Formular: C11H14Cl2N2
• Molecular Mass: 245.14826
• Monoisotopic Mass: 244.05340382
• SMILES: c12c(CNN)cccc1cccc2.Cl.Cl
• Canonical SMILES: NNCc1cccc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C11H12N2.2ClH/c12-13-8-10-6-3-5-9-4-1-2-7-11(9)10;;/h1-7,13H,8,12H2;2*1H
• InChIKey: QXULACCHKNPDTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (naphthalen-1-ylmethyl)hydrazine dihydrochloride
• IUPAC Traditional name: (naphthalen-1-ylmethyl)hydrazine dihydrochloride
• Synonyms: (1-naphthylmethyl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD11505488
• PubChem SID: 164313461
• PubChem CID: 42940677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6655004
• LogD (pH = 7.4): 1.8998543
• Log P: 1.9038355
• Molar Refractivity: 65.9585 cm^3
• Polarizability: 22.67755 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 1.878

Product Information

• Purity: 95%