N-(5-aminopyridin-2-yl)acetamide

• ChemBase ID: 10294
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: N(c1ncc(N)cc1)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cn1)N
• InChI: InChI=1S/C7H9N3O/c1-5(11)10-7-3-2-6(8)4-9-7/h2-4H,8H2,1H3,(H,9,10,11)
• InChIKey: SXGURHSLXPDJBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-aminopyridin-2-yl)acetamide
• IUPAC Traditional name: N-(5-aminopyridin-2-yl)acetamide
• Synonyms: N-(5-Aminopyridin-2-yl)acetamide; 2-Acetamido-5-aminopyridine 98%; 2-Acetamido-5-aminopyridine; 2-Acetamido-5-aminopyridine; N-(5-Aminopyridin-2-yl)acetamide; 2-乙酸胺基-5-氨基吡啶; 2-乙酰氨基-5-氨基吡啶

Database IDs

• CAS Number: 220731-04-4; 29958-14-3
• EC Number: 000-000-0
• MDL Number: MFCD00160311
• Beilstein Number: 128346
• PubChem SID: 160973601; 24882513
• PubChem CID: 2735219

CALCULATED PROPERTIES

• Polarizability: 15.4674635 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 12.648515
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.2794837
• LogD (pH = 7.4): -0.24169303
• Log P: -0.24118467
• Molar Refractivity: 43.778 cm^3

PROPERTIES

Physical Property

• Melting Point: 144-154°C; 154°C; 154-158 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36-43
• Safety Statements: 26-36/37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H317-H319
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C7H9N3O

DETAILS

Sigma Aldrich - 632783

Packaging
1, 5 g in glass bottle