1H-1,2,4-Triazole-3-carboxylicacid, 5-amino-, ethyl ester supplier

Name
ethyl 5-amino-2H-1,2,4-triazole-3-carboxylate
EINECS 675-026-4
CAS No. 63666-11-5
Article Data8
CAS DataBase
Density 1.408 g/cm³
Solubility
Melting Point 242-243℃
Formula C₅H₈N₄O₂
Boiling Point 373.9 °C at 760 mmHg
Molecular Weight 156.144
Flash Point 179.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl5-amino-1H-1,2,4-triazole-3-carboxylate;NSC 148474;
PSA 93.89000
LogP 0.14480

1H-1,2,4-Triazole-3-carboxylicacid, 5-amino-, ethyl ester Specification

The 1H-1,2,4-Triazole-3-carboxylicacid, 5-amino-, ethyl ester, with the CAS registry number 63666-11-5, is also known as NSC148474. This chemical's molecular formula is C₅H₈N₄O₂ and molecular weight is 156.064726. Its IUPAC name is called ethyl 3-amino-1H-1,2,4-triazole-5-carboxylate.

Physical properties of 1H-1,2,4-Triazole-3-carboxylicacid, 5-amino-, ethyl ester: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.48; (8)ACD/KOC (pH 7.4): 13.55; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 37.51 cm³; (14)Molar Volume: 110.8 cm³; (15)Surface Tension: 74.3 dyne/cm; (16)Density: 1.408 g/cm³; (17)Flash Point: 179.9 °C; (18)Enthalpy of Vaporization: 62.12 kJ/mol; (19)Boiling Point: 373.9 °C at 760 mmHg; (20)Vapour Pressure: 8.68E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=NC(=NN1)N
(2)InChI: InChI=1S/C5H8N4O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H3,6,7,8,9)
(3)InChIKey: MLVNUTAJXZZPCJ-UHFFFAOYSA-N

Product Name

ethyl 5-amino-2H-1,2,4-triazole-3-carboxylate

1H-1,2,4-Triazole-3-carboxylicacid, 5-amino-, ethyl ester Specification

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