(4-aminopyridin-3-yl)methanol

• ChemBase ID: 23728
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(cnccc1N)CO
• Canonical SMILES: OCc1cnccc1N
• InChI: InChI=1S/C6H8N2O/c7-6-1-2-8-3-5(6)4-9/h1-3,9H,4H2,(H2,7,8)
• InChIKey: WNBVEYMTVDMSFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminopyridin-3-yl)methanol
• IUPAC Traditional name: (4-aminopyridin-3-yl)methanol
• Synonyms: (4-Amino-pyridin-3-yl)-methanol; 4-Amino-3-(hydroxymethyl)pyridine; 4-Amino-3-pyridinemethanol; (4-Amino-pyridin-3-yl)-methanol; (4-Aminopyridin-3-yl)methanol; 4-氨基吡啶-3-甲醇

Database IDs

• CAS Number: 138116-34-4
• MDL Number: MFCD06203066
• PubChem SID: 160987035
• PubChem CID: 10796739

CALCULATED PROPERTIES

• Acid pKa: 14.656747
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8230119
• LogD (pH = 7.4): -1.6449505
• Log P: -0.84070235
• Molar Refractivity: 35.4174 cm^3
• Polarizability: 13.025188 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167-169°C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C6H8N2O

DETAILS

Sigma Aldrich - ADE000311

Other Notes
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