Ethyl 5-amino-3-methyl-4-isoxazolecarboxylate supplier

Name
5-AMINO-3-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 25786-72-5
Article Data6
CAS DataBase
Density 1.229 g/cm³
Solubility
Melting Point 133-135 °C
Formula C₇H₁₀N₂O₃
Boiling Point 287 °C at 760 mmHg
Molecular Weight 170.17
Flash Point 127.3 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 4-isoxazolecarboxylic acid, 5-amino-3-methyl-, ethyl ester;5-Amino-3-methyl-isoxazole-4-carboxylic acid ethyl ester;Isoxazole-4-carboxylic acid, 5-amino-3-methyl-, ethyl ester
PSA 78.35000
LogP 1.32310

Ethyl 5-amino-3-methyl-4-isoxazolecarboxylate Specification

This chemical is called 5-Amino-3-methyl-isoxazole-4-carboxylic acid ethyl ester, and its systematic name is ethyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate. With the molecular formula of C₇H₁₀N₂O₃, its molecular weight is 170.17. The CAS registry number of this chemical is 25786-72-5.

Other characteristics of the 5-Amino-3-methyl-isoxazole-4-carboxylic acid ethyl ester can be summarised as followings: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.57 Å²; (7)Index of Refraction: 1.52; (8)Molar Refractivity: 42.11 cm³; (9)Molar Volume: 138.4 cm³; (10)Polarizability: 16.69×10^-24cm³; (11)Surface Tension: 47.5 dyne/cm; (12)Density: 1.229 g/cm³; (13)Flash Point: 127.3 °C; (14)Enthalpy of Vaporization: 52.61 kJ/mol; (15)Boiling Point: 287 °C at 760 mmHg; (16)Vapour Pressure: 0.00256 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1c(onc1C)N
2.InChI: InChI=1/C7H10N2O3/c1-3-11-7(10)5-4(2)9-12-6(5)8/h3,8H2,1-2H3
3.InChIKey: ULIKRPZEQZFBPS-UHFFFAOYAB

Product Name

5-AMINO-3-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

Ethyl 5-amino-3-methyl-4-isoxazolecarboxylate Specification

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