Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-Homo-beta-valine |
EINECS | N/A |
CAS No. | 40469-85-0 | Density | 1.035 g/cm3 |
PSA | 63.32000 | LogP | 1.14470 |
Solubility | N/A | Melting Point |
202-210℃ (decomposition) |
Formula | C6H13NO2 | Boiling Point | 232 °C at 760 mmHg |
Molecular Weight | 131.175 | Flash Point | 94.1 °C |
Transport Information | N/A | Appearance | white fine crystalline powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(S)-HOMO-BETA-VALINE ;REF DUPL: (S)-beta-homovaline;L-β-Hoval-OH |
Article Data | 11 |
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