2H-1,3-benzodioxol-5-ylhydrazine hydrochloride

• ChemBase ID: 88457
• Molecular Formular: C7H9ClN2O2
• Molecular Mass: 188.61156
• Monoisotopic Mass: 188.03525522
• SMILES: O1c2c(ccc(c2)NN)OC1.Cl
• Canonical SMILES: NNc1ccc2c(c1)OCO2.Cl
• InChI: InChI=1S/C7H8N2O2.ClH/c8-9-5-1-2-6-7(3-5)11-4-10-6;/h1-3,9H,4,8H2;1H
• InChIKey: CTRHUONLKBGSKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H-1,3-benzodioxol-5-ylhydrazine hydrochloride
• IUPAC Traditional name: 2H-1,3-benzodioxol-5-ylhydrazine hydrochloride
• Synonyms: 1,3-Benzodioxol-5-ylhydrazine hydrochloride; (1,3-Benzodioxol-5-yl)hydrazine hydrochloride; 3,4-(Methylenedioxy)phenylhydrazine hydrochloride; 5-Hydrazino-1,3-benzodioxole hydrochloride

Database IDs

• CAS Number: 40483-63-4
• MDL Number: MFCD12031970
• PubChem SID: 162075409
• PubChem CID: 22291622

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.80276895
• LogD (pH = 7.4): 0.98522
• Log P: 0.98812187
• Molar Refractivity: 41.5316 cm^3
• Polarizability: 15.372283 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Empirical Formula (Hill Notation): C7H9ClN2O2

DETAILS

Sigma Aldrich - CBR00760

Other Notes
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Legal Information
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