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D-Alloisoleucine

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Name

D-Alloisoleucine

EINECS 216-143-9
CAS No. 1509-35-9 Density 1.035 g/cm3
PSA 63.32000 LogP 1.14470
Solubility N/A Melting Point 291 °C (dec.)(lit.)
Formula C6H13NO2 Boiling Point 225.8 °C at 760 mmHg
Molecular Weight 131.175 Flash Point 90.3 °C
Transport Information N/A Appearance White crystalline powder
Safety 24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1509-35-9 (D-Alloisoleucine) Hazard Symbols IrritantXi
Synonyms

Allo-D-isoleucine;BRN 1721794;Threo-D-Isoleucine;

Article Data 91

D-Alloisoleucine Specification

The Alloisoleucine, D- is an organic compound with the formula C6H13NO2. The IUPAC name of this chemical is (2R,3S)-2-Amino-3-methylpentanoic acid. With the CAS registry number 1509-35-9, it is also named as (R)-2-Amino-(S)-3-methylvaleric acid. The product's categories are Isoleucine [Ile, I]; Amino Acids. Besides, it is white crystalline powder, which should be stored at 2 - 8 °C.

Physical properties about Alloisoleucine, D- are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): -1.77; (3)ACD/LogD (pH 7.4): -1.77; (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: 4; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 34.86 cm3; (14)Molar Volume: 126.6 cm3; (15)Polarizability: 13.82×10-24 cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.035 g/cm3; (18)Flash Point: 90.3 °C; (19)Enthalpy of Vaporization: 50.93 kJ/mol; (20)Boiling Point: 225.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0309 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
(2)InChIKey: AGPKZVBTJJNPAG-CRCLSJGQBO
(3)Std. InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
(4)Std. InChIKey: AGPKZVBTJJNPAG-CRCLSJGQSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 8922mg/kg (8922mg/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.
Link to PubMed

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