-
Name
3-ACETAMIDOPYRIDINE
- EINECS
- CAS No. 5867-45-8
- Article Data46
- CAS DataBase
- Density 1.176 g/cm3
- Solubility 38.8 mg/mL in water at 25 ºC
- Melting Point 131 °C
- Formula C7H8N2O
- Boiling Point 327.4 °C at 760 mmHg
- Molecular Weight 136.153
- Flash Point 151.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Acetamide,N-3-pyridyl- (8CI);Pyridine, 3-acetamido- (6CI,7CI);3-(Acetylamino)pyridine;3-Acetamidopyridine;N-(3-Pyridinyl)acetamide;N-(3-Pyridyl)acetamide;NSC403993;
- PSA 41.99000
- LogP 1.11300
Acetamide,N-3-pyridinyl- Specification
The Acetamide,N-3-pyridinyl-, with the CAS registry number 5867-45-8, is also known as 3-Acetamidopyridine. This chemical's molecular formula is C7H8N2O and molecular weight is 136.15. What's more, its IUPAC name is N-pyridin-3-ylacetamide. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from light.
Physical properties of Acetamide,N-3-pyridinyl- are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.67; (8)ACD/KOC (pH 7.4): 32.82; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 38.61 cm3; (15)Molar Volume: 115.7 cm3; (16)Polarizability: 15.3×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.176 g/cm3; (19)Flash Point: 151.8 °C; (20)Enthalpy of Vaporization: 56.97 kJ/mol; (21)Boiling Point: 327.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000202 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=CN=CC=C1
(2)InChI: InChI=1S/C7H8N2O/c1-6(10)9-7-3-2-4-8-5-7/h2-5H,1H3,(H,9,10)
(3)InChIKey: JVYIBLHBCPSTKF-UHFFFAOYSA-N
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