Ethanimidic acid, 2,2-diethoxy-, methyl ester supplier

Name
2,2-diethoxy-ethanimidic acid methyl ester
EINECS
CAS No. 76742-48-8
Article Data23
CAS DataBase
Density 1.01 g/cm³
Solubility
Melting Point
Formula C₇H₁₅NO₃
Boiling Point 159 °C at 760 mmHg
Molecular Weight 161.201
Flash Point 50 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2,2-diethoxyethanimidoate;2,2-Diethoxy-acetimidic acid methyl ester;
PSA 51.54000
LogP 1.10890

Ethanimidic acid, 2,2-diethoxy-, methyl ester Specification

The Ethanimidic acid, 2,2-diethoxy-, methyl ester, with the CAS registry number 76742-48-8, is also known as 2,2-Diethoxy-acetimidic acid methyl ester. This chemical's molecular formula is C₇H₁₅NO₃ and molecular weight is 161.2. What's more, its systematic name is methyl 2,2-diethoxyethanimidoate.

Physical properties of Ethanimidic acid, 2,2-diethoxy-, methyl ester are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.66; (7)ACD/KOC (pH 5.5): 8.37; (8)ACD/KOC (pH 7.4): 113.35; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 51.54 Å²; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 40.32 cm³; (15)Molar Volume: 158.7 cm³; (16)Polarizability: 15.98×10^-24cm³; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 1.01 g/cm³; (19)Flash Point: 50 °C; (20)Enthalpy of Vaporization: 37.94 kJ/mol; (21)Boiling Point: 159 °C at 760 mmHg; (22)Vapour Pressure: 3.31 mmHg at 25°C.

Uses of Ethanimidic acid, 2,2-diethoxy-, methyl ester: it can be used to produce 1,2,4-triazole-3-carboxaldehyde diethyl acetal by heating. It will need solvent methanol with the reaction time of 14 hours. The yield is about 90%.

Ethanimidic acid, 2,2-diethoxy-, methyl ester can be used to produce 1,2,4-triazole-3-carboxaldehyde diethyl acetal by heating

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(OCC)C(=N)OC
(2)InChI: InChI=1S/C7H15NO3/c1-4-10-7(11-5-2)6(8)9-3/h7-8H,4-5H2,1-3H3
(3)InChIKey: YKOUABZEDZDJEY-UHFFFAOYSA-N

Product Name

2,2-diethoxy-ethanimidic acid methyl ester

Ethanimidic acid, 2,2-diethoxy-, methyl ester Specification

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