6-methoxypyridine-2,3-diamine dihydrochloride

• ChemBase ID: 296224
• Molecular Formular: C6H11Cl2N3O
• Molecular Mass: 212.07704
• Monoisotopic Mass: 211.02791735
• SMILES: COc1ccc(c(n1)N)N.Cl.Cl
• Canonical SMILES: COc1ccc(c(n1)N)N.Cl.Cl
• InChI: InChI=1S/C6H9N3O.2ClH/c1-10-5-3-2-4(7)6(8)9-5;;/h2-3H,7H2,1H3,(H2,8,9);2*1H
• InChIKey: HFTXXPTXSCLIIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridine-2,3-diamine dihydrochloride
• IUPAC Traditional name: 6-methoxypyridine-2,3-diamine dihydrochloride
• Synonyms: 6-Methoxy-2,3-pyridinediamine hydrochloride; 2,3-Diamino-6-methoxypyridine dihydrochloride; 2,3-二氨基-6-甲氧基吡啶二盐酸盐

Database IDs

• CAS Number: 94166-62-8
• EC Number: None
• MDL Number: MFCD07787253
• PubChem SID: 180681755
• PubChem CID: 3023919

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.03731546
• LogD (pH = 7.4): 0.12641023
• Log P: 0.12896527
• Molar Refractivity: 40.3921 cm^3
• Polarizability: 14.247932 Å^3
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167-171°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%