allo-DL-Threonine supplier

Name
allo-DL-Threonine
EINECS 205-645-3
CAS No. 144-98-9
Article Data54
CAS DataBase
Density 1.307 g/cm³
Solubility almost transparency
Melting Point 256 °C
Formula C₄H₉NO₃
Boiling Point 345.803 °C at 760 mmHg
Molecular Weight 119.12
Flash Point 162.936 °C
Transport Information
Appearance white powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms allo-Threonine;Allothreonine,DL- (8CI);Butanoic acid, 2-amino-3-allo-hydroxy-;DL-Allothreonine;DL-allo-Threonine;NSC 41828;Threonine, allo-;Allothreonine;
PSA 83.55000
LogP -0.52060

allo-DL-Threonine 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

Product Name

allo-DL-Threonine

allo-DL-Threonine Specification

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