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| CAS No.: | 144-98-9 |
|---|---|
| Name: | allo-DL-Threonine |
| Article Data: | 54 |
| Molecular Structure: | |
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| Formula: | C4H9NO3 |
| Molecular Weight: | 119.12 |
| Synonyms: | allo-Threonine;Allothreonine,DL- (8CI);Butanoic acid, 2-amino-3-allo-hydroxy-;DL-Allothreonine;DL-allo-Threonine;NSC 41828;Threonine, allo-;Allothreonine; |
| EINECS: | 205-645-3 |
| Density: | 1.307 g/cm3 |
| Melting Point: | 256 °C |
| Boiling Point: | 345.803 °C at 760 mmHg |
| Flash Point: | 162.936 °C |
| Solubility: | almost transparency |
| Appearance: | white powder |
| Safety: | 24/25 |
| PSA: | 83.55000 |
| LogP: | -0.52060 |
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Specification
The allo-DL-Threonine, with the CAS registry number 144-98-9, is also known as Butanoic acid, 2-amino-3-allo-hydroxy-. It belongs to the product categories of Amino Acids; Threonine [Thr, T]; Amino Acids; I - Z; Modified Amino Acids. Its EINECS number is 205-645-3. This chemical's molecular formula is C4H9NO3 and molecular weight is 119.12. What's more, its systematic name is Threonine. When using it, you must avoid contact with skin and eyes. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it is used in biochemical study.
Physical properties of allo-DL-Threonine are: (1)ACD/LogP: -1.136; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.64; (4)ACD/LogD (pH 7.4): -3.64; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 83.55 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 27.132 cm3; (15)Molar Volume: 91.125 cm3; (16)Polarizability: 10.756×10-24cm3; (17)Surface Tension: 60.01 dyne/cm; (18)Density: 1.307 g/cm3; (19)Flash Point: 162.936 °C; (20)Enthalpy of Vaporization: 68.32 kJ/mol; (21)Boiling Point: 345.803 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)C(O)C
(2)Std. InChI: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
(3)Std. InChIKey: AYFVYJQAPQTCCC-UHFFFAOYSA-N