CAS No.696-57-1,N-ALLYLMORPHOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	696-57-1
Name:	N-ALLYLMORPHOLINE
Article Data:	3

Formula:	C₇H₁₃NO
Molecular Weight:	127.186
Synonyms:	Morpholine,4-(2-propenyl)- (9CI);Morpholine, 4-allyl- (7CI,8CI);4-(2-Propenyl)morpholine;4-Allylmorpholine;N-Allylmorpholine;4-(prop-2-en-1-yl)morpholine;4-(Prop-2-en-1-yl)morpholin;4-Allylmorpholine;morpholine, 4-(2-propen-1-yl)-;N-Allyl morpholine;
Density:	0.923 g/cm³
Boiling Point:	158.9 °C at 760 mmHg
Flash Point:	42.7 °C
PSA:	12.47000
LogP:	0.44250

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Specification

The Morpholine,4-(2-propen-1-yl)-, with the CAS registry number 696-57-1, has the systematic name of 4-(prop-2-en-1-yl)morpholine. It belongs to the product category of monomer. And the molecular formula of the chemical is C₇H₁₃NO.

The characteristics of Morpholine,4-(2-propen-1-yl)- are as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): 0.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 28.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 37.3 cm³; (15)Molar Volume: 137.7 cm³; (16)Polarizability: 14.78×10^-24cm³; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 0.923 g/cm³; (19)Flash Point: 42.7 °C; (20)Enthalpy of Vaporization: 39.56 kJ/mol; (21)Boiling Point: 158.9 °C at 760 mmHg; (22)Vapour Pressure: 2.56 mmHg at 25°C.

Preparation of Morpholine,4-(2-propen-1-yl)-: This chemical can be prepared by morpholine and prop-2-en-1-ol. The reaction will need reagent bis(1,5-cyclooctadiene)nickel and PPh3. The reaction time is 15 hours with temperature of 15°C, and the yield is about 1.2 mmol.

Uses of Morpholine,4-(2-propen-1-yl)-: It can react with 1,1,3,3-tetramethyl-disiloxane to produce 1,3-Bis(3'-morpholinopropyl)-1,1,3,3-tetramethyldisiloxane. The reaction temperature is 200°C, and the yield is about 60.7%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1CCN(C\C=C)CC1
(2)InChI: InChI=1/C7H13NO/c1-2-3-8-4-6-9-7-5-8/h2H,1,3-7H2
(3)InChIKey: SUSANAYXICMXBL-UHFFFAOYAY