1-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylhydrazine dihydrochloride

• ChemBase ID: 101820
• Molecular Formular: C9H14Cl2N2O2
• Molecular Mass: 253.12566
• Monoisotopic Mass: 252.04323306
• SMILES: c12c(OCO1)ccc(c2)CNNC.Cl.Cl
• Canonical SMILES: CNNCc1ccc2c(c1)OCO2.Cl.Cl
• InChI: InChI=1S/C9H12N2O2.2ClH/c1-10-11-5-7-2-3-8-9(4-7)13-6-12-8;;/h2-4,10-11H,5-6H2,1H3;2*1H
• InChIKey: VRXRFKNZVNEKSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylhydrazine dihydrochloride
• IUPAC Traditional name: 1-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylhydrazine dihydrochloride
• Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-2-methylhydrazine dihydrochloride

Database IDs

• PubChem SID: 162105349
• PubChem CID: 71300113

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.407554
• LogD (pH = 7.4): 0.75443846
• Log P: 0.7612684
• Molar Refractivity: 69.6027 cm^3
• Polarizability: 19.3246 Å^3
• Polar Surface Area: 42.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%