{[4-(propan-2-yl)phenyl]methyl}hydrazine dihydrochloride

• ChemBase ID: 15552
• Molecular Formular: C10H18Cl2N2
• Molecular Mass: 237.16932
• Monoisotopic Mass: 236.08470395
• SMILES: c1cc(ccc1C(C)C)CNN.Cl.Cl
• Canonical SMILES: NNCc1ccc(cc1)C(C)C.Cl.Cl
• InChI: InChI=1S/C10H16N2.2ClH/c1-8(2)10-5-3-9(4-6-10)7-12-11;;/h3-6,8,12H,7,11H2,1-2H3;2*1H
• InChIKey: KADAMLCHSPZDTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(propan-2-yl)phenyl]methyl}hydrazine dihydrochloride
• IUPAC Traditional name: [(4-isopropylphenyl)methyl]hydrazine dihydrochloride
• Synonyms: (4-Isopropylbenzyl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD06800865
• PubChem SID: 160978859
• PubChem CID: 45074962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9398925
• LogD (pH = 7.4): 2.1557858
• Log P: 2.159368
• Molar Refractivity: 63.6991 cm^3
• Polarizability: 20.509481 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false