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| CAS No.: | 40469-85-0 |
|---|---|
| Name: | (S)-Homo-beta-valine |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C6H13NO2 |
| Molecular Weight: | 131.175 |
| Synonyms: | (S)-HOMO-BETA-VALINE ;REF DUPL: (S)-beta-homovaline;L-β-Hoval-OH |
| Density: | 1.035 g/cm3 |
| Melting Point: | 202-210℃ (decomposition) |
| Boiling Point: | 232 °C at 760 mmHg |
| Flash Point: | 94.1 °C |
| Appearance: | white fine crystalline powder |
| PSA: | 63.32000 |
| LogP: | 1.14470 |
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- Total:37 Page 1 of 1 1
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Specification
This chemical is called (S)-Homo-beta-valine. With the molecular formula of C6H13NO2, its molecular weight is 131.17. The CAS registry number of this chemical is 40469-85-0.
Other characteristics of the (S)-Homo-beta-valine can be summarised as followings: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 34.86 cm3; (13)Molar Volume: 126.6 cm3; (14)Polarizability: 13.82×10-24cm3; (15)Surface Tension: 39 dyne/cm; (16)Density: 1.035 g/cm3; (17)Flash Point: 94.1 °C; (18)Enthalpy of Vaporization: 51.63 kJ/mol; (19)Boiling Point: 232 °C at 760 mmHg; (20)Vapour Pressure: 0.0212 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C[C@H](N)C(C)C
2.InChI: InChI=1/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
3.InChIKey: GLUJNGJDHCTUJY-YFKPBYRVBR