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Basic Information
CAS No.: 36740-09-7
Name: morpholin-4-yl(pyridin-3-yl)acetonitrile
Molecular Structure:
Molecular Structure of 36740-09-7 (morpholin-4-yl(pyridin-3-yl)acetonitrile)
Formula: C11H13N3O
Molecular Weight: 203.244
Synonyms: NSC192641;α-Morpholino-a-(3-pyridyl)acetonitrile;morpholin-4-yl(pyridin-3-yl)acetonitrile;2-morpholin-4-yl-2-pyridin-3-ylacetonitrile;4-morpholineacetonitrile, α-3-pyridinyl-;
Density: 1.19 g/cm3
Boiling Point: 339 °C at 760 mmHg
Flash Point: 158.8 °C
PSA: 49.15000
LogP: 0.91638
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Specification

The 4-Morpholineacetonitrile,α-3-pyridinyl-, with the CAS registry number 36740-09-7, has the systematic name of morpholin-4-yl(pyridin-3-yl)acetonitrile. It is also called  2-morpholin-4-yl-2-pyridin-3-ylacetonitrile. And the molecular formula of the chemical is C11H13N3O.

The characteristics of 4-Morpholineacetonitrile,α-3-pyridinyl- are as followings: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.15 Å2; (7)Index of Refraction: 1.562; (8)Molar Refractivity: 55.42 cm3; (9)Molar Volume: 170.7 cm3; (10)Polarizability: 21.97×10-24cm3; (11)Surface Tension: 54.6 dyne/cm; (12)Density: 1.19 g/cm3; (13)Flash Point: 158.8 °C; (14)Enthalpy of Vaporization: 58.24 kJ/mol; (15)Boiling Point: 339 °C at 760 mmHg; (16)Vapour Pressure: 9.46E-05 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CC(c1cnccc1)N2CCOCC2
(2)InChI: InChI=1/C11H13N3O/c12-8-11(10-2-1-3-13-9-10)14-4-6-15-7-5-14/h1-3,9,11H,4-7H2
(3)InChIKey: SFXNZFATUMWBHR-UHFFFAOYAY