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Benzonitrile,4-(4-morpholinylmethyl)-

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Name

Benzonitrile,4-(4-morpholinylmethyl)-

EINECS N/A
CAS No. 37812-51-4 Density 1.14 g/cm3
PSA 36.26000 LogP 1.32838
Solubility N/A Melting Point 84-89 °C
Formula C12H14N2O Boiling Point 332.4 °C at 760 mmHg
Molecular Weight 202.256 Flash Point 154.8 °C
Transport Information N/A Appearance white to light yellow crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 37812-51-4 (4-(MORPHOLINOMETHYL)BENZONITRILE) Hazard Symbols N/A
Synonyms

4-(Morpholin-4-ylmethyl)benzonitrile;

Article Data 16

Benzonitrile,4-(4-morpholinylmethyl)- Specification

The Benzonitrile,4-(4-morpholinylmethyl)- is an organic compound with the molecular formula C12H14N2O. Its CAS registry number is 37812-51-4. The IUPAC name of this chemical is called 4-(Morpholin-4-ylmethyl)benzonitrile. It belongs to the product category of Aromatic Nitriles. What's more, the molecular weight of this chemical is 202.25. In addition, this chemical should be stored in a cool, dry and sealing place.

Physical properties about Benzonitrile,4-(4-morpholinylmethyl)- 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)Polarizability: 23.01×10-24 cm3; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.14 g/cm3; (13)Flash Point: 154.8 °C; (14)Enthalpy of Vaporization: 57.52 kJ/mol; (15)Boiling Point: 332.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000146 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(cc1)CN2CCOCC2
(2) InChI: InChI=1/C12H14N2O/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2
(3) InChIKey: BCZLYNFDOJXWGN-UHFFFAOYAA 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,

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