(2-methoxyphenyl)hydrazine hydrochloride

• ChemBase ID: 24107
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: c1(c(cccc1)OC)NN.Cl
• Canonical SMILES: COc1ccccc1NN.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c1-10-7-5-3-2-4-6(7)9-8;/h2-5,9H,8H2,1H3;1H
• InChIKey: HECSHXUNOVTAIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-methoxyphenyl)hydrazine hydrochloride
• Synonyms: 2-Hydrazinoanisole hydrochloride; 2-Methoxyphenylhydrazine hydrochloride 98%; (2-Methoxyphenyl)hydrazine hydrochloride; (2-Methoxy-phenyl)-hydrazine hydrochloride

Database IDs

• CAS Number: 6971-45-5
• MDL Number: MFCD00035456
• PubChem SID: 160987414
• PubChem CID: 2849445

CALCULATED PROPERTIES

• Acid pKa: 19.393656
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1197996
• LogD (pH = 7.4): 1.2059996
• Log P: 1.2072172
• Molar Refractivity: 42.2279 cm^3
• Polarizability: 15.407749 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%