CAS No.823-47-2,ETHYL PROPIOLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	823-47-2
Name:	ETHYL PROPIOLATE
Article Data:	1

Formula:	C₇H₁₀N₂
Molecular Weight:	122.17
Synonyms:	Pyridine,1-ethyl-1,2-dihydro-2-imino- (6CI,7CI,8CI);1-Ethyl-2-imino-1,2-dihydropyridine;1-ethylpyridin-4(1H)-imine;4(1H)-Pyridinimine, 1-ethyl-;
EINECS:	210-795-8
Density:	0.99 g/cm³
Boiling Point:	184 °C at 760 mmHg
Flash Point:	65.1 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
Safety:	26-36
PSA:	26.30000
LogP:	0.18270

Total:12 Page 1 of 1 1

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Specification

The 2(1H)-Pyridinimine,1-ethyl-, with the CAS registry number 823-47-2, has the systematic name of 1-ethylpyridin-4(1H)-imine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₁₀N₂.

The characteristics of 2(1H)-Pyridinimine,1-ethyl- are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 15.6 Å²; (10)Index of Refraction: 1.528; (11)Molar Refractivity: 37.93 cm³; (12)Molar Volume: 123.1 cm³; (13)Polarizability: 15.03×10^-24cm³; (14)Surface Tension: 36.9 dyne/cm; (15)Density: 0.99 g/cm³; (16)Flash Point: 65.1 °C; (17)Enthalpy of Vaporization: 42.03 kJ/mol; (18)Boiling Point: 184 °C at 760 mmHg; (19)Vapour Pressure: 0.748 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [N@H]=C\1\C=C/N(/C=C/1)CC
(2)InChI: InChI=1/C7H10N2/c1-2-9-5-3-7(8)4-6-9/h3-6,8H,2H2,1H3
(3)InChIKey: SSKSEXZATXLXLL-UHFFFAOYAR