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Morpholine,3,5-dimethyl-

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Name

Morpholine,3,5-dimethyl-

EINECS N/A
CAS No. 123-57-9 Density 0.862g/cm3
PSA 21.26000 LogP 0.71200
Solubility N/A Melting Point 202-203 °C(Solv: ethanol (64-17-5))
Formula C6H13NO Boiling Point 150.8 °C at 760 mmHg
Molecular Weight 115.175 Flash Point 50.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 123-57-9 (3,5-DiMethylMorpholine) Hazard Symbols N/A
Synonyms

3,5-Dimethylmorpholine;NSC 28666;

Article Data 1

Morpholine,3,5-dimethyl- Specification

The Morpholine,3,5-dimethyl-, with CAS registry number 123-57-9, has the systematic name of 3,5-dimethylmorpholine. Its molecular weight is 115.1735. And the chemical formula of this chemical is C6H13NO.

Physical properties of Morpholine,3,5-dimethyl-: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.08; (4)ACD/LogD (pH 7.4): -1.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 32.81 cm3; (15)Molar Volume: 133.5 cm3; (16)Polarizability: 13×10-24cm3; (17)Surface Tension: 24.2 dyne/cm; (18)Density: 0.862 g/cm3; (19)Flash Point: 50.1 °C; (20)Enthalpy of Vaporization: 38.77 kJ/mol; (21)Boiling Point: 150.8 °C at 760 mmHg; (22)Vapour Pressure: 3.78 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1CC(NC(C)C1)C
(2)InChI: InChI=1/C6H13NO/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3
(3)InChIKey: MDKHWJFKHDRFFZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H13NO/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3
(5)Std. InChIKey: MDKHWJFKHDRFFZ-UHFFFAOYSA-N

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