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CAS No.: | 1509-35-9 |
---|---|
Name: | D-Alloisoleucine |
Article Data: | 91 |
Molecular Structure: | |
Formula: | C6H13NO2 |
Molecular Weight: | 131.175 |
Synonyms: | Allo-D-isoleucine;BRN 1721794;Threo-D-Isoleucine; |
EINECS: | 216-143-9 |
Density: | 1.035 g/cm3 |
Melting Point: | 291 °C (dec.)(lit.) |
Boiling Point: | 225.8 °C at 760 mmHg |
Flash Point: | 90.3 °C |
Appearance: | White crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25-36-26 |
PSA: | 63.32000 |
LogP: | 1.14470 |
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 |