(2H-1,3-benzodioxol-5-ylmethyl)hydrazine hydrochloride

• ChemBase ID: 17214
• Molecular Formular: C8H11ClN2O2
• Molecular Mass: 202.63814
• Monoisotopic Mass: 202.05090528
• SMILES: c12c(ccc(c1)CNN)OCO2.Cl
• Canonical SMILES: NNCc1ccc2c(c1)OCO2.Cl
• InChI: InChI=1S/C8H10N2O2.ClH/c9-10-4-6-1-2-7-8(3-6)12-5-11-7;/h1-3,10H,4-5,9H2;1H
• InChIKey: VFAMYTFEDMWKGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2H-1,3-benzodioxol-5-ylmethyl)hydrazine hydrochloride
• IUPAC Traditional name: (2H-1,3-benzodioxol-5-ylmethyl)hydrazine hydrochloride
• Synonyms: Benzo[1,3]dioxol-5-ylmethyl-hydrazine hydrochloride

Database IDs

• MDL Number: MFCD10687204
• PubChem SID: 160980521
• PubChem CID: 24189014

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.34791252
• LogD (pH = 7.4): 0.53460705
• Log P: 0.5375923
• Molar Refractivity: 55.2752 cm^3
• Polarizability: 17.486406 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false