ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate supplier

Name
Ethyl2,5-dimethylpyrrole-3-carboxylate
EINECS
CAS No. 2199-52-2
Density 1.08 g/cm³
Solubility
Melting Point 118-119℃
Formula C₉H₁₃NO₂
Boiling Point 307 °C at 760 mmHg
Molecular Weight 167.208
Flash Point 139.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 2, 5-dimethyl-1H-pyrrole-3-carboxylate;2, 5-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester;
PSA 42.09000
LogP 1.80820

ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate Specification

The 1H-Pyrrole-3-carboxylicacid, 2, 5-dimethyl-, ethyl ester, with the CAS registry number of 2199-52-2, is also known as 2, 5-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester. This chemical's molecular formula is C₉H₁₃NO₂ and molecular weight is 167.205. What's more, its systematic name is Ethyl 2, 5-dimethyl-1H-pyrrole-3-carboxylate.

Physical properties about 1H-Pyrrole-3-carboxylicacid, 2, 5-dimethyl-, ethyl ester are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.64; (6)ACD/BCF (pH 7.4): 55.64; (7)ACD/KOC (pH 5.5): 617.94; (8)ACD/KOC (pH 7.4): 617.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 46.74 cm³; (15)Molar Volume: 154.7 cm³; (16)Polarizability: 18.52×10^-24 cm³; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 139.5 °C; (20)Enthalpy of Vaporization: 54.76 kJ/mol; (21)Boiling Point: 307 °C at 760 mmHg; (22)Vapour Pressure: 0.000745 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: O=C(OCC)c1c(nc(c1)C)C
(2) InChI: InChI=1/C9H13NO2/c1-4-12-9(11)8-5-6(2)10-7(8)3/h5,10H,4H2,1-3H3
(3) InChIKey: NOCOMGOGAJYTPH-UHFFFAOYAS

Product Name

Ethyl2,5-dimethylpyrrole-3-carboxylate

ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate Specification

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