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| CAS No.: | 34271-27-7 |
|---|---|
| Name: | Acetyl-D-2-aminobutyric acid |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H11NO3 |
| Molecular Weight: | 145.158 |
| Synonyms: | Acetyl-D-2-aminobutyric acid;Nsc203440;(R)-2-AcetaMidobutanoic acid;D-2-(Acetamido)butyric acid;Acetyl-D-α-aminobutyric acid |
| Density: | 1.129g/cm3 |
| Boiling Point: | 368.2°C at 760 mmHg |
| Flash Point: | 176.5°C |
| PSA: | 66.40000 |
| LogP: | 0.37660 |
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Specification
This chemical is called Acetyl-D-2-aminobutyric acid, and its CAS registry number is 34271-27-7. With the molecular formula of C6H11NO3, its molecular weight is 145.16.
Other characteristics of the Acetyl-D-2-aminobutyric acid can be summarised as followings: (1)ACD/LogP: -0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.67; (4)ACD/LogD (pH 7.4): -4.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 34.99 cm3; (15)Molar Volume: 128.5 cm3; (16)Polarizability: 13.87×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.129 g/cm3; (19)Flash Point: 176.5 °C; (20)Enthalpy of Vaporization: 67.53 kJ/mol; (21)Boiling Point: 368.2 °C at 760 mmHg; (22)Vapour Pressure: 1.97E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(NC(C(=O)O)CC)C
2.InChI: InChI=1/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)
3.InChIKey: WZVZUKROCHDMDT-UHFFFAOYAV