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107599-38-2

Basic Information
CAS No.: 107599-38-2
Name: 1-Ethyl-N-methylpyrrolidine-2-carboxamide
Molecular Structure:
Molecular Structure of 107599-38-2 (1-Ethyl-N-methylpyrrolidine-2-carboxamide)
Formula: C8H16N2O
Molecular Weight: 156.228
Synonyms: 1-Ethyl-N-methylprolinamide;2-Pyrrolidinecarboxamide,1-ethyl-N-methyl-, (S)- (9CI);
Density: 0.992 g/cm3
Boiling Point: 296 °C at 760 mmHg
Flash Point: 132.8 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 32.34000
LogP: 0.54550
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Specification

The 1-Ethyl-N-methylpyrrolidine-2-carboxamide, with the CAS registry number 107599-38-2, is also known as 2-Pyrrolidinecarboxamide,1-ethyl-N-methyl-, (S)- (9CI). It belongs to the product categories of Amide; Pyrrole. This chemical's molecular formula is C8H16N2O and molecular weight is 156.23. What's more, its systematic name is 1-ethyl-N-methylprolinamide.

Physical properties of 1-Ethyl-N-methylpyrrolidine-2-carboxamide are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1.71; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 32.34 Å2; (9)Index of Refraction: 1.472; (10)Molar Refractivity: 44.14 cm3; (11)Molar Volume: 157.4 cm3; (12)Surface Tension: 33.4 dyne/cm; (13)Density: 0.992 g/cm3; (14)Flash Point: 132.8 °C; (15)Enthalpy of Vaporization: 53.57 kJ/mol; (16)Boiling Point: 296 °C at 760 mmHg; (17)Vapour Pressure: 0.00147 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC)C1CCCN1CC
(2)InChI: InChI=1S/C8H16N2O/c1-3-10-6-4-5-7(10)8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)
(3)InChIKey: QNDRLFKYRMOWNS-UHFFFAOYSA-N