3-(3-Methyl-5-isoxazolyl)alanine supplier

Name
5-Isoxazolealanine,3-methyl-(6CI)
EINECS
CAS No. 100959-34-0
Density 1.311 g/cm³
Solubility
Melting Point
Formula C₇H₁₀N₂O₃
Boiling Point 348.2 °C at 760 mmHg
Molecular Weight 170.168
Flash Point 164.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Isoxazolealanine,3-methyl- (6CI);
PSA 89.35000
LogP 0.63770

3-(3-Methyl-5-isoxazolyl)alanine Specification

The CAS register number of 3-(3-Methyl-5-isoxazolyl)alanine is 100959-34-0. It also can be called as 5-Isoxazolepropanoicacid, a-amino-3-methyl- and the systematic name about this chemical is (2S)-2-amino-3-(3-methylisoxazol-5-yl)propanoic acid. The molecular formula about this chemical is C₇H₁₀N₂O₃and the molecular weight is 170.17. It belongs to the Oxazole.

Physical properties about 3-(3-Methyl-5-isoxazolyl)alanine are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 89.35Å²; (9)Index of Refraction: 1.54; (10)Molar Refractivity: 40.7 cm³; (11)Molar Volume: 129.7 cm³; (12)Polarizability: 16.13x10^-24cm³; (13)Surface Tension: 57.7 dyne/cm; (14)Enthalpy of Vaporization: 62.53 kJ/mol; (15)Boiling Point: 348.2 °C at 760 mmHg; (16)Vapour Pressure: 1.93E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(on1)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C7H10N2O3/c1-4-2-5(12-9-4)3-6(8)7(10)11/h2,6H,3,8H2,1H3,(H,10,11)/t6-/m0/s1
(3)InChIKey: ZVQYDFQJRNUCEW-LURJTMIEBX
(4)Std. InChI: InChI=1S/C7H10N2O3/c1-4-2-5(12-9-4)3-6(8)7(10)11/h2,6H,3,8H2,1H3,(H,10,11)/t6-/m0/s1
(5)Std. InChIKey: ZVQYDFQJRNUCEW-LURJTMIESA-N

Product Name

5-Isoxazolealanine,3-methyl-(6CI)

3-(3-Methyl-5-isoxazolyl)alanine Specification

Related Products

Hot Products