2,3-dihydro-1H-inden-5-ylhydrazine hydrochloride

• ChemBase ID: 15544
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: c1cc(cc2c1CCC2)NN.Cl
• Canonical SMILES: NNc1ccc2c(c1)CCC2.Cl
• InChI: InChI=1S/C9H12N2.ClH/c10-11-9-5-4-7-2-1-3-8(7)6-9;/h4-6,11H,1-3,10H2;1H
• InChIKey: QDTUDBCUGJLIFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-5-ylhydrazine hydrochloride
• IUPAC Traditional name: 2,3-dihydro-1H-inden-5-ylhydrazine hydrochloride
• Synonyms: 2,3-Dihydro-1H-inden-5-ylhydrazine hydrochloride; (2,3-Dihydro-1H-inden-5-yl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD06800572
• PubChem SID: 160978851
• PubChem CID: 44119566

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1170666
• LogD (pH = 7.4): 2.3682141
• Log P: 2.3725739
• Molar Refractivity: 48.6459 cm^3
• Polarizability: 17.542814 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C9H13ClN2

DETAILS

Sigma Aldrich - CBR00796

Other Notes
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Legal Information
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