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CAS No.: | 857283-91-1 |
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Name: | 3-(MORPHOLIN-4-YLMETHYL)BENZONITRILE |
Molecular Structure: | |
Formula: | C12H14N2O |
Molecular Weight: | 202.256 |
Synonyms: | 3-(Morpholin-4-ylmethyl)benzonitrile; |
Density: | 1.14 g/cm3 |
Boiling Point: | 323.2 °C at 760 mmHg |
Flash Point: | 149.3 °C |
PSA: | 36.26000 |
LogP: | 1.32838 |
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The Benzonitrile,3-(4-morpholinylmethyl)-, with the CAS registry number 857283-91-1, is also known as 3-(Morpholin-4-ylmethyl)benzonitrile 97%. This chemical's molecular formula is C12H14N2O and molecular weight is 202.25. What's more, its systematic name is called 3-(Morpholin-4-ylmethyl)benzonitrile.
Physical properties about Benzonitrile,3-(4-morpholinylmethyl)-l are: (1) ACD/LogP: 0.61; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 36.26 Å2; (7) Index of Refraction: 1.573; (8) Molar Refractivity: 58.05 cm3; (9) Molar Volume: 176.1 cm3; (10) Surface Tension: 50.1 dyne/cm; (11) Density: 1.14 g/cm3; (12) Flash Point: 149.3 °C; (13) Enthalpy of Vaporization: 56.52 kJ/mol; (14) Boiling Point: 323.2 °C at 760 mmHg; (15) Vapour Pressure: 0.000265 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(ccc1)CN2CCOCC2
(2) InChI: InChI=1/C12H14N2O/c13-9-11-2-1-3-12(8-11)10-14-4-6-15-7-5-14/h1-3,8H,4-7,10H2
(3) InChIKey: GSVNKQLSALKJHW-UHFFFAOYAZ