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CAS No.: | 33631-01-5 |
---|---|
Name: | 3-Amino-1-methylpyridin-2(1H)-one |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H8N2O |
Molecular Weight: | 124.142 |
Synonyms: | 2(1H)-Pyridone, 3-amino-1-methyl- |
Density: | 1.169 g/cm3 |
Boiling Point: | 296 °C at 760 mmHg |
Flash Point: | 132.8 °C |
PSA: | 48.02000 |
LogP: | 0.54870 |
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This chemical is called 2(1H)-Pyridinone, 3-amino-1-methyl-, and its systematic name is 3-amino-1-methylpyridin-2(1H)-one. With the molecular formula of C6H8N2O, its molecular weight is 124.14052. The CAS registry number of this chemical is 33631-01-5.
Other characteristics of the 2(1H)-Pyridinone, 3-amino-1-methyl- can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 7.64; (4)ACD/KOC (pH 7.4): 7.73; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 46.33 Å2; (9)Index of Refraction: 1.557; (10)Molar Refractivity: 34.21 cm3; (11)Molar Volume: 106.1 cm3; (12)Polarizability: 13.56×10-24cm3; (13)Surface Tension: 43.9 dyne/cm; (14)Density: 1.169 g/cm3; (15)Flash Point: 132.8 °C; (16)Enthalpy of Vaporization: 53.58 kJ/mol; (17)Boiling Point: 296 °C at 760 mmHg; (18)Vapour Pressure: 0.00147 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N\C1=C\C=C/N(C)C1=O
2.InChI: InChI=1/C6H8N2O/c1-8-4-2-3-5(7)6(8)9/h2-4H,7H2,1H3
3.InChIKey: IHSBTHXDCVIBPF-UHFFFAOYAV