Benzonitrile,3-(4-morpholinylmethyl)- supplier

Name
3-(MORPHOLIN-4-YLMETHYL)BENZONITRILE
EINECS
CAS No. 857283-91-1
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄N₂O
Boiling Point 323.2 °C at 760 mmHg
Molecular Weight 202.256
Flash Point 149.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Morpholin-4-ylmethyl)benzonitrile;
PSA 36.26000
LogP 1.32838

Benzonitrile,3-(4-morpholinylmethyl)- Specification

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

Product Name

3-(MORPHOLIN-4-YLMETHYL)BENZONITRILE

Benzonitrile,3-(4-morpholinylmethyl)- Specification

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