[(3-methylphenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 144139
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: Cc1cccc(c1)CNN.Cl
• Canonical SMILES: NNCc1cccc(c1)C.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-7-3-2-4-8(5-7)6-10-9;/h2-5,10H,6,9H2,1H3;1H
• InChIKey: FYYVCWJSXXJWGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methylphenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(3-methylphenyl)methyl]hydrazine hydrochloride
• Synonyms: (3-Methylbenzyl)hydrazine hydrochloride; [(3-methylphenyl)methyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD07785901
• PubChem SID: 162238356
• PubChem CID: 50999444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2117198
• LogD (pH = 7.4): 1.4242685
• Log P: 1.4277803
• Molar Refractivity: 54.5495 cm^3
• Polarizability: 16.81738 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.203

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C8H13ClN2

DETAILS

Sigma Aldrich - CBR00827

Other Notes
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Legal Information
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