[(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine dihydrochloride

• ChemBase ID: 15561
• Molecular Formular: C10H18Cl2N2O
• Molecular Mass: 253.16872
• Monoisotopic Mass: 252.07961857
• SMILES: c1c(c(cc(c1OC)C)CNN)C.Cl.Cl
• Canonical SMILES: NNCc1cc(C)c(cc1C)OC.Cl.Cl
• InChI: InChI=1S/C10H16N2O.2ClH/c1-7-5-10(13-3)8(2)4-9(7)6-12-11;;/h4-5,12H,6,11H2,1-3H3;2*1H
• InChIKey: YNKIEWPLLBVORC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine dihydrochloride
• IUPAC Traditional name: [(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine dihydrochloride
• Synonyms: (4-Methoxy-2,5-dimethylbenzyl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD06800914
• PubChem SID: 160978868
• PubChem CID: 45074970

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5595484
• LogD (pH = 7.4): 1.7798543
• Log P: 1.7835304
• Molar Refractivity: 66.0539 cm^3
• Polarizability: 21.071833 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false