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| CAS No.: | 68277-01-0 |
|---|---|
| Name: | Methyl 2-amino-3-oxobutanoate |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C5H9NO3 |
| Molecular Weight: | 131.13 |
| Synonyms: | 2-Amino-3-oxobutanoicacid methyl ester; |
| Density: | 1.133 g/cm3 |
| Melting Point: | 85-86 °C |
| Boiling Point: | 167.5 °C at 760 mmHg |
| Flash Point: | 51.4 °C |
| PSA: | 69.39000 |
| LogP: | -0.22400 |
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- Total:22 Page 1 of 1 1
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Specification
The Methyl 2-amino-3-oxobutanoate, with the CAS registry number 68277-01-0, is also known as 2-Amino-3-oxobutanoic acid methyl ester. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C5H9NO3 and formula weight is 131.13. What's more, its systematic name is called Methyl 2-amino-3-oxobutanoate.
Physical properties about this chemical are: (1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27; (8)ACD/KOC (pH 7.4): 31; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.39 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 30.512 cm3; (15)Molar Volume: 115.725 cm3; (16)Surface Tension: 37.982 dyne/cm; (17)Density: 1.133 g/cm3; (18)Melting point 85-86 °C; (19)Flash Point: 51.433 °C; (20)Enthalpy of Vaporization: 40.399 kJ/mol; (21)Boiling Point: 167.537 °C at 760 mmHg; (22)Vapour Pressure: 1.692 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)C(N)C(=O)OC
(2)InChI: InChI=1/C5H9NO3/c1-3(7)4(6)5(8)9-2/h4H,6H2,1-2H3
(3)InChIKey: JJJKPDCCZFMOJD-UHFFFAOYAK