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CAS No.: | 37812-51-4 |
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Name: | 4-(MORPHOLINOMETHYL)BENZONITRILE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C12H14N2O |
Molecular Weight: | 202.256 |
Synonyms: | 4-(Morpholin-4-ylmethyl)benzonitrile; |
Density: | 1.14 g/cm3 |
Melting Point: | 84-89 °C |
Boiling Point: | 332.4 °C at 760 mmHg |
Flash Point: | 154.8 °C |
Appearance: | white to light yellow crystalline powder |
PSA: | 36.26000 |
LogP: | 1.32838 |
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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, |