(S)-Homo-beta-valine supplier

Name
(S)-Homo-beta-valine
EINECS
CAS No. 40469-85-0
Article Data11
CAS DataBase
Density 1.035 g/cm³
Solubility
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
Appearance white fine crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-HOMO-BETA-VALINE ;REF DUPL: (S)-beta-homovaline;L-β-Hoval-OH
PSA 63.32000
LogP 1.14470

(S)-Homo-beta-valine 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

Product Name

(S)-Homo-beta-valine

(S)-Homo-beta-valine Specification

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