(2,6-dimethylphenyl)hydrazine hydrochloride

• ChemBase ID: 34750
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: c1(c(cccc1C)C)NN.Cl
• Canonical SMILES: NNc1c(C)cccc1C.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-6-4-3-5-7(2)8(6)10-9;/h3-5,10H,9H2,1-2H3;1H
• InChIKey: GQKQMDUOOZVZFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dimethylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2,6-dimethylphenyl)hydrazine hydrochloride
• Synonyms: (2,6-Dimethylphenyl)hydrazine hydrochloride; 2,6-Dimethylphenylhydrazine hydrochloride 98%

Database IDs

• CAS Number: 2538-61-6
• MDL Number: MFCD01861265
• PubChem SID: 160998057
• PubChem CID: 12405010

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.146151
• LogD (pH = 7.4): 2.387592
• Log P: 2.3917313
• Molar Refractivity: 45.8471 cm^3
• Polarizability: 16.43874 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false