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640-68-6

Basic Information
CAS No.: 640-68-6
Name: D-Valine
Molecular Structure:
Molecular Structure of 640-68-6 (D-Valine)
Formula: C5H11NO2
Molecular Weight: 117.15
Synonyms: H-D-Val-OH;D-Valin;Valine, D-;(2R)-2-amino-3-methyl-butanoic acid;(2R)-2-amino-3-methylbutanoic acid;(R)-2-Amino-3-methylbutyric acid;(R)-Valine;(R)-2-Amino-3-methylbutanoic acid;-Valine;
EINECS: 211-368-9
Density: 1.063 g/cm3
Melting Point: >295 °C (subl.)(lit.)
Boiling Point: 213.6 °C at 760 mmHg
Flash Point: 83 °C
Solubility: 56 g/L (20 °C )
Appearance: white to off-white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25-36-26
Transport Information:
PSA: 63.32000
LogP: 0.75460
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    Product name: D-Valine Alias: H-D-Val-OH CAS No.: 640-68-6 Molecular formula: C5H11NO2 Molecular weight: 117.15 Melting point: 302-303ºC Water solubility: 56 g/l (20ºC) Specific rotation: -27.5º(C=5,5NHCL) Uses: D - Valine i

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    D-Valine.

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    D-Valine

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The D-Valine is an organic compound with the formula C5H11NO. The IUPAC name of this chemical is (2R)-2-amino-3-methylbutanoic acid. With the CAS registry number 640-68-6, it is also named as D-2-Aminoisovaleric acid. The product's categories are Amino Acids Derivatives; Amino Acids Series; Valine [Val, V]; Amino Acids and Derivatives; alpha-Amino Acids; Amino Acids; Biochemistry; Amino Acids and Derivatives. Besides, it is a white to off-white crystalline powder, which can be used as raw materials and intermediates for drug, it is also used in the synthesis of low-amphibolite sweetener. It is mainly applied in chiral medicine, chiral additive, helping the medicinal preparation and so on. It uses as chrial source of chiral synthesis in drugs manufacuture.

Physical properties about D-Valine are: (1)ACD/LogP: 0.20; (2)ACD/LogD (pH 5.5): -2.3; (3)ACD/LogD (pH 7.4): -2.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.461; (13)Molar Refractivity: 30.23 cm3; (14)Molar Volume: 110.1 cm3; (15)Polarizability: 11.98×10-24cm3; (16)Surface Tension: 39.8 dyne/cm; (17)Density: 1.063 g/cm3; (18)Flash Point: 83 °C; (19)Enthalpy of Vaporization: 49.58 kJ/mol; (20)Boiling Point: 213.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0633 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)C(C)C
(2)InChI: InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
(3)InChIKey: KZSNJWFQEVHDMF-SCSAIBSYBL
(4)Std. InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
(5)Std. InChIKey: KZSNJWFQEVHDMF-SCSAIBSYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 6093mg/kg (6093mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives of Biochemistry and Biophysics. Vol. 64, Pg. 319, 1956.