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Basic Information |
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Cas Database |
Name |
Ethyl 2-amino-3-oxobutanoate hydrochloride |
EINECS | N/A |
CAS No. | 20207-16-3 | Density | N/A |
PSA | 69.39000 | LogP | 0.96810 |
Solubility | N/A | Melting Point |
114-115℃ |
Formula | C6H11NO3.ClH | Boiling Point | 229.2 °C at 760 mmHg |
Molecular Weight | 181.619 | Flash Point | 92.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure |
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Hazard Symbols | N/A |
Synonyms |
Ethyl 2-amino-3-oxobutanoate hydrochloride (1:1);MFCD09971784;Ethyl 2-amino-3-oxobutanoate hydrochloride; |
Article Data | 14 |
The Ethyl 2-amino-3-oxobutanoate hydrochloride with CAS registry number of 20207-16-3 is also known as MFCD09971784. The systematic name is Ethyl 2-amino-3-oxobutanoate hydrochloride (1:1). In addition, the formula is C6H11NO3.ClH and the molecular weight is 181.62.
Physical properties about Ethyl 2-amino-3-oxobutanoate hydrochloride are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 50; (8)ACD/KOC (pH 7.4): 59; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 69.39Å2; (13)Flash Point: 92.4 °C; (14)Enthalpy of Vaporization: 47.53 kJ/mol; (15)Boiling Point: 229.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0572 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Cl.O=C(C)C(N)C(=O)OCC
2. InChI: InChI=1/C6H11NO3.ClH/c1-3-10-6(9)5(7)4(2)8;/h5H,3,7H2,1-2H3;1H
3. InChIKey: BGJIQVZAHKXUFG-UHFFFAOYAS
4. Std. InChI: InChI=1S/C6H11NO3.ClH/c1-3-10-6(9)5(7)4(2)8;/h5H,3,7H2,1-2H3;1H
5. Std. InChIKey: BGJIQVZAHKXUFG-UHFFFAOYSA-N