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| CAS No.: | 1999-46-8 |
|---|---|
| Name: | DL-ALANYL-DL-VALINE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C8H16N2O3 |
| Molecular Weight: | 188.227 |
| Synonyms: | Valine,N-DL-alanyl- (7CI);Valine, N-DL-alanyl-, DL- (8CI);Valine, N-alanyl-;DL-Ala-DL-Val;DL-Alanyl-DL-valine;DL-a-Alanyl-DL-valine;NSC 89659;Alanylvaline; |
| EINECS: | 221-978-7 |
| Density: | 1.134 g/cm3 |
| Boiling Point: | 401.8 °C at 760 mmHg |
| Flash Point: | 196.8 °C |
| PSA: | 92.42000 |
| LogP: | 0.65020 |
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Specification
This chemical is called Valine, alanyl-, and it can also be named as DL-Alanyl-DL-valine. With the molecular formula of C8H16N2O3, its molecular weight is 188.22. The CAS registry number of this chemical is 1999-46-8, and its product categories are Biochemistry; Oligopeptides; Peptide Synthesis. Additionally, this chemical should be sealed and stored at the temperature of -20°C.
Other characteristics of the Valine, alanyl- can be summarised as follows: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.78; (4)ACD/LogD (pH 7.4): -2.85; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 47.71 cm3; (15)Molar Volume: 165.9 cm3; (16)Polarizability: 18.91×10-24 cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.134 g/cm3; (19)Flash Point: 196.8 °C; (20)Enthalpy of Vaporization: 71.64 kJ/mol; (21)Boiling Point: 401.8 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(NC(C(=O)O)C(C)C)C(N)C
2.InChI: InChI=1/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)
3.InChIKey: LIWMQSWFLXEGMA-UHFFFAOYAX