Name: 4-Benzylmorpholine-2-carbonitrile
SKU: 126645-52-1

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Basic Information

Molecular Structure:
CAS No.:	126645-52-1
Name:	4-Benzylmorpholine-2-carbonitrile
Article Data:	25

Formula:	C₁₂H₁₄N₂O
Molecular Weight:	202.256
Synonyms:	N-Benzyl-2-cyano-morpholine;
Density:	1.14 g/cm³
Boiling Point:	343.1 °C at 760 mmHg
Flash Point:	161.3 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	36.26000
LogP:	1.34888

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Specification

The 2-Morpholinecarbonitrile,4-(phenylmethyl)-, with the CAS registry number of 126645-52-1, is also known as N-Benzyl-2-cyano-morpholine. It belongs to the product categories of Morpholines & Thiomorpholines; Morpholines & Thiomorpholines. Its molecular formula is C₁₂H₁₄N₂O and molecular weight is 202.25236. What's more, its IUPAC name is 4-Benzylmorpholine-2-carbonitrile.

Physical properties about the 2-Morpholinecarbonitrile,4-(phenylmethyl)- are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 1.79; (6)ACD/BCF (pH 7.4): 2.29; (7)ACD/KOC (pH 5.5): 49.15; (8)ACD/KOC (pH 7.4): 62.9; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.26 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 58.03 cm³; (15)Molar Volume: 177.1 cm³; (16)Surface Tension: 48.8 dyne/cm; (17)Density: 1.14 g/cm³; (18)Flash Point: 161.3 °C; (19)Enthalpy of Vaporization: 58.69 kJ/mol; (20)Boiling Point: 343.1 °C at 760 mmHg; (21)Vapour Pressure: 7.2E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC2CN(Cc1ccccc1)CCO2
(2) InChI: InChI=1/C12H14N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
(3) InChIKey: NAWYNSSXFPEQKE-UHFFFAOYAW