2-(4-methoxy-2-methylphenyl)hydrazinium chloride

• ChemBase ID: 302409
• Molecular Formular: C8H13ClN2O
• Molecular Mass: 188.65462
• Monoisotopic Mass: 188.07164073
• SMILES: Cc1cc(ccc1N[NH3+])OC.[Cl-]
• Canonical SMILES: COc1ccc(c(c1)C)N[NH3+].[Cl-]
• InChI: InChI=1S/C8H12N2O.ClH/c1-6-5-7(11-2)3-4-8(6)10-9;/h3-5,10H,9H2,1-2H3;1H
• InChIKey: OIFKWIPSJGNUCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxy-2-methylphenyl)hydrazinium chloride
• IUPAC Traditional name: 2-(4-methoxy-2-methylphenyl)hydrazinium chloride
• Synonyms: 4-Methoxy-2-methylphenylhydrazine hydrochloride; 4-甲氧基-2-甲基苯肼.盐酸盐

Database IDs

• CAS Number: 93048-16-9
• MDL Number: MFCD03426021
• Beilstein Number: 7227704

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4904534
• LogD (pH = 7.4): 1.7168318
• Log P: 1.7206385
• Molar Refractivity: 57.4999 cm^3
• Polarizability: 17.202324 Å^3
• Polar Surface Area: 48.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 110°C dec.

Safety Information

• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22
• Safety Statements: 9-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%