(2-aminopyridin-3-yl)methanol

• ChemBase ID: 15486
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(c(CO)cccn1)N
• Canonical SMILES: OCc1cccnc1N
• InChI: InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8)
• InChIKey: FEIACFYXEWBKHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminopyridin-3-yl)methanol
• IUPAC Traditional name: (2-aminopyridin-3-yl)methanol
• Synonyms: (2-Amino-3-pyridinyl)methanol; (2-Aminopyridin-3-yl)methanol; 2-Amino-3-(hydroxymethyl)pyridine; (2-Amino-pyridin-3-yl)-methanol; 2-Amino-3-hydroxymethylpyridine; 2-Amino-3-pyridinemethanol; 2-Amino-3-pyridinemethanol; 2-Amino-3-(hydroxymethyl)pyridine; 2-Amino-3-pyridylmethanol; 3-(Hydroxymethyl)-2-pyridinamine; (2-Aminopyridin-3-yl)methanol; (2-Amino-pyridin-3-yl)-methanol; 2-氨基吡啶-3-甲醇

Database IDs

• CAS Number: 23612-57-9
• MDL Number: MFCD05663510
• PubChem SID: 160978793
• PubChem CID: 11159325

CALCULATED PROPERTIES

• Acid pKa: 14.66998
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.149601
• LogD (pH = 7.4): -0.29339653
• Log P: -0.2462448
• Molar Refractivity: 35.7309 cm^3
• Polarizability: 13.02939 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Pale-Yellow Powder
• Melting Point: 66-68°C; 68-69°C

Safety Information

• Storage Condition: Store under N2 at -18°C
• Storage Warning: Air Sensitive; IRRITANT; 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: >95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H8N2O

DETAILS

Sigma Aldrich - ADE000265

Other Notes
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