MORPHOLINOACETONITRILE

The 4-Morpholineacetonitrile, with the CAS registry number of 5807-02-3, is also known as Morpholin-4-ylacetonitrile. Its EINECS registry number is 227-366-6. Its molecular formula is C₆H₁₀N₂O and molecular weight is 126.16. What's more, its IUPAC name is 2-Morpholin-4-ylacetonitrile. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 4-Morpholineacetonitrile are: (1)ACD/LogP: -0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.18; (8)ACD/KOC (pH 7.4): 12.48; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.26 Å²; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 32.85 cm³; (15)Molar Volume: 119.5 cm³; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 1.055 g/cm³; (18)Flash Point: 87 °C; (19)Enthalpy of Vaporization: 45.66 kJ/mol; (20)Boiling Point: 220.2 °C at 760 mmHg; (21)Vapour Pressure: 0.114 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce Methylsulfanyl-morpholin-4-yl-acetonitrile. This reaction needs reagent LDA. Meanwhile, it needs solvent 1,2-Dimethoxy-ethane. The reaction time is 60 min with reaction temperature of -55 °C. The yield is about 59 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is toxic by inhalation, in contact with skin and if swallowed. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCN1CCOCC1
(2) InChI: InChI=1/C6H10N2O/c7-1-2-8-3-5-9-6-4-8/h2-6H2
(3) InChIKey: OOSOCAXREAGIGA-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	200uL/kg (0.2mL/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat	LD50	oral	1230uL/kg (1.23mL/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.