5-methoxy-4-methylpyridin-3-amine hydrochloride

• ChemBase ID: 32529
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: c1(cncc(c1C)N)OC.Cl
• Canonical SMILES: COc1cncc(c1C)N.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c1-5-6(8)3-9-4-7(5)10-2;/h3-4H,8H2,1-2H3;1H
• InChIKey: UKNQLPGBPHSPAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-4-methylpyridin-3-amine hydrochloride
• IUPAC Traditional name: 5-methoxy-4-methylpyridin-3-amine hydrochloride
• Synonyms: 5-Methoxy-4-methylpyridin-3-amine hydrochloride; 5-Methoxy-4-methylpyridin-3-amine hydrochloride

Database IDs

• CAS Number: 1185094-00-1
• MDL Number: MFCD11857675
• PubChem SID: 160995836
• PubChem CID: 46185010

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3402882
• LogD (pH = 7.4): 0.25577116
• Log P: 0.28239757
• Molar Refractivity: 40.1059 cm^3
• Polarizability: 14.854081 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 97%
• Empirical Formula (Hill Notation): C7H11ClN2O

DETAILS

Sigma Aldrich - ADE000538

Other Notes
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