[(3-methoxyphenyl)methyl]hydrazine dihydrochloride

• ChemBase ID: 15015
• Molecular Formular: C8H14Cl2N2O
• Molecular Mass: 225.11556
• Monoisotopic Mass: 224.04831844
• SMILES: c1cc(cc(c1)CNN)OC.Cl.Cl
• Canonical SMILES: NNCc1cccc(c1)OC.Cl.Cl
• InChI: InChI=1S/C8H12N2O.2ClH/c1-11-8-4-2-3-7(5-8)6-10-9;;/h2-5,10H,6,9H2,1H3;2*1H
• InChIKey: FBNBTWSJOGMIRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methoxyphenyl)methyl]hydrazine dihydrochloride
• IUPAC Traditional name: [(3-methoxyphenyl)methyl]hydrazine dihydrochloride
• Synonyms: 3-Methoxybenzylhydrazine dihydrochloride; 3-(Hydrazinomethyl)anisole dihydrochloride; 3-Hydrazinobenzyl methyl ether dihydrochloride; 3-(Hydrazinomethyl)phenyl methyl ether dihydrochloride

Database IDs

• CAS Number: 85293-12-5; 849021-11-0
• MDL Number: MFCD06245507
• PubChem SID: 160978322
• PubChem CID: 2760979

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.566569
• LogD (pH = 7.4): 0.7536938
• Log P: 0.7566876
• Molar Refractivity: 55.9715 cm^3
• Polarizability: 17.539106 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-118°C; 116-118°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Hygroscopic/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 98%