CAS No.43163-94-6,3-FLUORO-DL-VALINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	43163-94-6
Name:	3-FLUORO-DL-VALINE
Article Data:	7

Formula:	C₅H₁₀FNO₂
Molecular Weight:	135.138
Synonyms:	2-Amino-3-fluoro-3-methylbutanoicacid;3-Fluoro-DL-valine;3-Fluorovaline;DL-b-Fluorovaline;NSC 363265;
EINECS:	-0
Density:	1.172 g/cm³
Melting Point:	~210 °C (dec.)
Boiling Point:	242.1 °C at 760 mmHg
Flash Point:	100.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25
PSA:	63.32000
LogP:	0.84670

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Specification

The CAS register number of Valine, 3-fluoro- is 43163-94-6. It also can be called as 3-Fluorovaline and the IUPAC name about this chemical is 2-amino-3-fluoro-3-methylbutanoic acid. The molecular formula about this chemical is C₅H₁₀FNO₂ and the molecular weight is 135.14. It belongs to the following product category which includes pharmacetical.

Physical properties about Valine, 3-fluoro- are: (1)ACD/LogP: 0.28; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 29.54 Å²; (10)Index of Refraction: 1.44; (11)Molar Refractivity: 30.4 cm³; (12)Molar Volume: 115.2 cm³; (13)Polarizability: 12.05x10^-24cm³; (14)Surface Tension: 36.8 dyne/cm; (15)Density: 1.172 g/cm³; (16)Flash Point: 100.2 °C; (17)Enthalpy of Vaporization: 52.76 kJ/mol; (18)Boiling Point: 242.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0115 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(C)(C)C(N)C(=O)O
(2)InChI: InChI=1/C5H10FNO2/c1-5(2,6)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)
(3)InChIKey: ZFUKCHCGMBNYHH-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H10FNO2/c1-5(2,6)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)
(5)Std. InChIKey: ZFUKCHCGMBNYHH-UHFFFAOYSA-N