6-methoxypyridine-2,3-diamine hydrochloride

• ChemBase ID: 180042
• Molecular Formular: C6H10ClN3O
• Molecular Mass: 175.6161
• Monoisotopic Mass: 175.05123964
• SMILES: c1(c(ccc(n1)OC)N)N.Cl
• Canonical SMILES: COc1ccc(c(n1)N)N.Cl
• InChI: InChI=1S/C6H9N3O.ClH/c1-10-5-3-2-4(7)6(8)9-5;/h2-3H,7H2,1H3,(H2,8,9);1H
• InChIKey: YOMVGFCJROPJQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridine-2,3-diamine hydrochloride
• IUPAC Traditional name: 6-methoxypyridine-2,3-diamine hydrochloride
• Synonyms: 2,3-Diamino-6-methoxypyridine HCl

Database IDs

• CAS Number: 28020-38-4
• PubChem SID: 164235952
• PubChem CID: 21149812

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

Product Information

• Purity: 98%