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15029-26-2

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Basic Information
CAS No.: 15029-26-2
Name: 2-CYANO-N-(2-MORPHOLIN-4-YL-ETHYL)-ACETAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 15029-26-2 (2-CYANO-N-(2-MORPHOLIN-4-YL-ETHYL)-ACETAMIDE)
Formula: C9H15N3O2
Molecular Weight: 197.237
Synonyms: Acetamide,2-cyano-N-(2-morpholinoethyl)- (7CI,8CI);N-(2-Morpholinoethyl)cyanoacetamide;
Density: 1.127 g/cm3
Melting Point: 73 °C
Boiling Point: 437.4 °C at 760 mmHg
Flash Point: 218.3 °C
Appearance: Colorless transparent liquid
PSA: 68.85000
LogP: 0.12668
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Specification

The N-(2-Morpholinoethyl)cyanoacetamide with the CAS number 15029-26-2 is also called Acetamide,2-cyano-N-[2-(4-morpholinyl)ethyl]-. The IUPAC name is 2-cyano-N-(2-morpholin-4-ylethyl)acetamide. Its molecular formula is C9H15N3O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: -2.05; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 56.57 Å2; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 50.38 cm3; (13)Molar Volume: 174.9 cm3; (14)Polarizability: 19.97×10-24cm3; (15)Surface Tension: 43.9 dyne/cm; (16)Enthalpy of Vaporization: 69.4 kJ/mol; (17)Vapour Pressure: 7.5×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(=O)NCCN1CCOCC1
(2)InChI: InChI=1/C9H15N3O2/c10-2-1-9(13)11-3-4-12-5-7-14-8-6-12/h1,3-8H2,(H,11,13)
(3)InChIKey: XTRYMEQPQFHLFW-UHFFFAOYAN