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CAS No.: | 96886-55-4 |
---|---|
Name: | (R)-2-Amino-2-methyl-4-pentenoic acid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H11NO2 |
Molecular Weight: | 129.159 |
Synonyms: | 4-Pentenoicacid, 2-amino-2-methyl-, (S)-;(S)-a-Allylalanine; |
Density: | 1.067 g/cm3 |
Melting Point: | 285℃ |
Boiling Point: | 226.2 °C at 760 mmHg |
Flash Point: | 90.6 °C |
Solubility: | Very soluble in water. |
Appearance: | White crystalline powder. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 63.32000 |
LogP: | 1.06480 |
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The CAS register number of (R)-2-Amino-2-methyl-4-pentenoic acid is 96886-55-4. It also can be called as 4-Pentenoic acid,2-amino-2-methyl-, (2S)- and the systematic name about this chemical is (2S)-2-amino-2-methylpent-4-enoic acid. The molecular formula about this chemical is C6H11NO2 and the molecular weight is 129.16. It belongs to the following product categories, such as Glycinescaffold; Amino Acids; Amino Acid Derivatives; Chiral Reagent and so on.
Physical properties about (R)-2-Amino-2-methyl-4-pentenoic acid are: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 5.5): -1.89; (3)ACD/LogD (pH 7.4): -1.9; (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: 29.54Å2; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 34.63 cm3; (14)Molar Volume: 121 cm3; (15)Polarizability: 13.73x10-24cm3; (16)Surface Tension: 40.7 dyne/cm; (17)Enthalpy of Vaporization: 50.98 kJ/mol; (18)Boiling Point: 226.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0301 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 gloves and eye/face protection. 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)SMILES: O=C(O)[C@](N)(C)C\C=C
(2)InChI: InChI=1/C6H11NO2/c1-3-4-6(2,7)5(8)9/h3H,1,4,7H2,2H3,(H,8,9)/t6-/m0/s1
(3)InChIKey: QMBTZYHBJFPEJB-LURJTMIEBM
(4)Std. InChI: InChI=1S/C6H11NO2/c1-3-4-6(2,7)5(8)9/h3H,1,4,7H2,2H3,(H,8,9)/t6-/m0/s1
(5)Std. InChIKey: QMBTZYHBJFPEJB-LURJTMIESA-N