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(S)-Homo-beta-valine

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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 Molecular Structure of 40469-85-0 ((S)-Homo-beta-valine) Hazard Symbols N/A
Synonyms

(S)-HOMO-BETA-VALINE ;REF DUPL: (S)-beta-homovaline;L-β-Hoval-OH

Article Data 11

(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

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