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| CAS No.: | 20207-16-3 |
|---|---|
| Name: | Ethyl 2-amino-3-oxobutanoate hydrochloride |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C6H11NO3.ClH |
| Molecular Weight: | 181.619 |
| Synonyms: | Ethyl 2-amino-3-oxobutanoate hydrochloride (1:1);MFCD09971784;Ethyl 2-amino-3-oxobutanoate hydrochloride; |
| Melting Point: | 114-115℃ |
| Boiling Point: | 229.2 °C at 760 mmHg |
| Flash Point: | 92.4 °C |
| PSA: | 69.39000 |
| LogP: | 0.96810 |
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- Total:32 Page 1 of 1 1
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Specification
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