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Ethyl 3-amino-5-ethyl-1H-pyrrole-2-carboxylate

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Name

Ethyl 3-amino-5-ethyl-1H-pyrrole-2-carboxylate

EINECS N/A
CAS No. 1194374-72-5 Density 1.158 g/cm3
PSA 68.11000 LogP 1.91720
Solubility N/A Melting Point N/A
Formula C9H14N2O2 Boiling Point 337 °C at 760 mmHg
Molecular Weight 182.22 Flash Point 157.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1194374-72-5 (Ethyl 3-amino-5-ethyl-1H-pyrrole-2-carboxylate) Hazard Symbols N/A
Synonyms

1H-Pyrrole-2-carboxylic acid, 3-amino-5-ethyl-, ethyl ester;

 

Ethyl 3-amino-5-ethyl-1H-pyrrole-2-carboxylate Specification

The Ethyl 3-amino-5-ethyl-1H-pyrrole-2-carboxylate, with the CAS registry number 1194374-72-5, is also known as 1H-Pyrrole-2-carboxylic acid, 3-amino-5-ethyl-, ethyl ester. This chemical's molecular formula is C9H14N2O2 and molecular weight is 182.22. What's more, its systematic name is Ethyl 3-amino-5-ethyl-1H-pyrrole-2-carboxylate.

Physical properties about Ethyl 3-amino-5-ethyl-1H-pyrrole-2-carboxylate are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 27.4; (7)ACD/KOC (pH 5.5): 9.88; (8)ACD/KOC (pH 7.4): 309.81; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 68.11 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 50.87 cm3; (15)Molar Volume: 157.2 cm3; (16)Polarizability: 20.16×10-24 cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.158 g/cm3; (19)Flash Point: 157.6 °C; (20)Enthalpy of Vaporization: 58.02 kJ/mol; (21)Boiling Point: 337 °C at 760 mmHg; (22)Vapour Pressure: 0.000108 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCc1cc(c([nH]1)C(=O)OCC)N
(2) InChI: InChI=1/C9H14N2O2/c1-3-6-5-7(10)8(11-6)9(12)13-4-2/h5,11H,3-4,10H2,1-2H3
(3) InChIKey: YVRLPBNXXIMQMY-UHFFFAOYAV

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