(2-aminopyridin-4-yl)methanol

• ChemBase ID: 16195
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1cnc(cc1CO)N
• Canonical SMILES: OCc1ccnc(c1)N
• InChI: InChI=1S/C6H8N2O/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2,(H2,7,8)
• InChIKey: ZRJJXXDQIQFZBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminopyridin-4-yl)methanol
• IUPAC Traditional name: (2-aminopyridin-4-yl)methanol
• Synonyms: 2-Aminopyridine-4-methanol; (2-Aminopyridin-4-yl)methanol; 2-AMINOPYRIDINE-4-METHANOL; 4-(Hydroxymethyl)pyridin-2-amine; (2-Aminopyridin-4-yl)methanol; 2-Amino-4-(hydroxymethyl)pyridine; (2-amino-4-pyridinyl)methanol; (2-Amino-pyridin-4-yl)-methanol; 2-Amino-4-(hydroxymethyl)pyridine; 2-Amino-4-pyridinylmethanol; 2-氨基吡啶-4-甲烷醇; 2-氨基-4-(羟甲基)吡啶; 2-氨基-4-吡啶甲醇

Database IDs

• CAS Number: 105250-17-7
• EC Number: 000-000-0
• MDL Number: MFCD03791261
• Beilstein Number: 8760550
• PubChem SID: 160979502
• PubChem CID: 1515296

CALCULATED PROPERTIES

• Acid pKa: 14.914407
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2922345
• LogD (pH = 7.4): -0.3222125
• Log P: -0.2462448
• Molar Refractivity: 35.7309 cm^3
• Polarizability: 13.0287895 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-84 °C; 80-85°C; 81-85°C; 86-87°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

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

DETAILS

Sigma Aldrich - 714577

Packaging
1 g in glass bottle