2,6-dimethoxypyridin-3-amine hydrochloride

• ChemBase ID: 80164
• Molecular Formular: C7H11ClN2O2
• Molecular Mass: 190.62744
• Monoisotopic Mass: 190.05090528
• SMILES: n1c(c(ccc1OC)N)OC.Cl
• Canonical SMILES: COc1ccc(c(n1)OC)N.Cl
• InChI: InChI=1S/C7H10N2O2.ClH/c1-10-6-4-3-5(8)7(9-6)11-2;/h3-4H,8H2,1-2H3;1H
• InChIKey: FITCPYYVAJWASG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxypyridin-3-amine hydrochloride
• IUPAC Traditional name: 2,6-dimethoxypyridin-3-amine hydrochloride
• Synonyms: 3-Amino-2,6-dimethoxypyridine hydrochloride; 3-Amino-2,6-dimethoxypyridine monohydrochloride; 3-氨基-2,6-二甲氧基吡啶 单盐酸盐

Database IDs

• CAS Number: 80789-72-6
• EC Number: 279-554-2
• MDL Number: MFCD00012816
• PubChem SID: 162067284; 24848577
• PubChem CID: 2723881

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8001067
• LogD (pH = 7.4): 0.8002185
• Log P: 0.80021995
• Molar Refractivity: 42.1549 cm^3
• Polarizability: 15.638079 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 212 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C7H10N2O2 · HCl

DETAILS

Sigma Aldrich - 143251

Packaging
1, 5 g in glass bottle