Basic information
- Name:
Ethanone,1-(2-amino-3-pyridinyl)-
- Superlist Name:
- 2-Amino-3-acetylpyridine
- CAS No.:
65326-33-2
- Molecular Structure:
- Formula:
- C7H8N2O
- Molecular Weight:
- 136.15
- Synonyms:
- 1-(2-Aminopyridin-3-yl)ethanone;2-Amino-3-acetylpyridine;3-Acetyl-2-aminopyridine;1-(2-Aminopyridin-3-yl)ethan-1-one;
- Density:
- 1.168 g/cm3
- Melting Point:
- 139-140°C
- Boiling Point:
- 283.8 °C at 760 mmHg
- Flash Point:
- 125.5 °C
- Hazard Symbols:
T
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Specification
The systematic name of 2-Amino-3-acetylpyridine is 1-(2-aminopyridin-3-yl)ethanone. With the CAS registry number 65326-33-2, it is also named as Ethanone,1-(2-amino-3-pyridinyl)-. The product's category is Pyridine. Besides, it is used as pharmaceutical intermediate. In addition, its molecular formula is C7H8N2O and molecular weight is 136.15.
The other characteristics of 2-Amino-3-acetylpyridine can be summarized as: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 8.24; (6)ACD/BCF (pH 7.4): 9.62; (7)ACD/KOC (pH 5.5): 150.61; (8)ACD/KOC (pH 7.4): 175.79; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.98 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 38.6 cm3; (15)Molar Volume: 116.4 cm3; (16)Polarizability: 15.3×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 125.5 °C; (20)Melting Point: 139-140 °C; (21)Enthalpy of Vaporization: 52.28 kJ/mol; (22)Boiling Point: 283.8 °C at 760 mmHg; (23)Vapour Pressure: 0.00309 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(C)c1cccnc1N
(2)InChI: InChI=1/C7H8N2O/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3,(H2,8,9)
(3)InChIKey: BNVLGAQNNFJKHG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H8N2O/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3,(H2,8,9)
(5)Std. InChIKey: BNVLGAQNNFJKHG-UHFFFAOYSA-N
