2,3-dihydro-1,4-benzodioxin-6-ylhydrazine hydrochloride

• ChemBase ID: 143718
• Molecular Formular: C8H11ClN2O2
• Molecular Mass: 202.63814
• Monoisotopic Mass: 202.05090528
• SMILES: c1cc2c(cc1NN)OCCO2.Cl
• Canonical SMILES: NNc1ccc2c(c1)OCCO2.Cl
• InChI: InChI=1S/C8H10N2O2.ClH/c9-10-6-1-2-7-8(5-6)12-4-3-11-7;/h1-2,5,10H,3-4,9H2;1H
• InChIKey: LRTNSVAUVCJCBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1,4-benzodioxin-6-ylhydrazine hydrochloride
• IUPAC Traditional name: 2,3-dihydro-1,4-benzodioxin-6-ylhydrazine hydrochloride
• Synonyms: 2,3-Dihydro-1,4-benzodioxin-6-ylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD08459592
• PubChem SID: 162237935
• PubChem CID: 12823080

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6849045
• LogD (pH = 7.4): 0.8749689
• Log P: 0.87802094
• Molar Refractivity: 46.7221 cm^3
• Polarizability: 17.208935 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H11ClN2O2

DETAILS

Sigma Aldrich - CBR00939

Other Notes
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Legal Information
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