5,6,7,8-tetrahydronaphthalen-1-ylhydrazine hydrochloride

• ChemBase ID: 260148
• Molecular Formular: C10H15ClN2
• Molecular Mass: 198.6925
• Monoisotopic Mass: 198.09237617
• SMILES: c12c(NN)cccc1CCCC2.Cl
• Canonical SMILES: NNc1cccc2c1CCCC2.Cl
• InChI: InChI=1S/C10H14N2.ClH/c11-12-10-7-3-5-8-4-1-2-6-9(8)10;/h3,5,7,12H,1-2,4,6,11H2;1H
• InChIKey: XPZHYILSEXNCRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalen-1-ylhydrazine hydrochloride
• IUPAC Traditional name: 5,6,7,8-tetrahydronaphthalen-1-ylhydrazine hydrochloride
• Synonyms: 5,6,7,8-tetrahydronaphthalen-1-ylhydrazine hydrochloride

Database IDs

• CAS Number: 54903-88-7
• MDL Number: MFCD12031966
• PubChem SID: 164316058
• PubChem CID: 12357319

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.571286
• LogD (pH = 7.4): 2.8129973
• Log P: 2.8171427
• Molar Refractivity: 53.2469 cm^3
• Polarizability: 19.389833 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 2.837

Product Information

• Purity: 95%