(S)-3-Ethylmorpholine supplier

Name
(S)-3-Ethylmorpholine
EINECS
CAS No. 748117-01-3
Article Data3
CAS DataBase
Density 0.878 g/cm³
Solubility
Melting Point
Formula C₆H₁₃NO
Boiling Point 160.6 °C at 760 mmHg
Molecular Weight 115.175
Flash Point 54.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-3-Ethylmorpholine;
PSA 21.26000
LogP 0.71360

(S)-3-Ethylmorpholine Specification

The systematic name of (S)-3-Ethylmorpholine is (3S)-3-ethylmorpholine. With the CAS registry number 748117-01-3, it is also named as Morpholine, 3-ethyl-,(3S)-. In addition, its molecular formula is C₆H₁₃NO and molecular weight is 115.17.

The other characteristics of (S)-3-Ethylmorpholine can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 21.26 Å²; (10)Index of Refraction: 1.413; (11)Molar Refractivity: 32.72 cm³; (12)Molar Volume: 131.1 cm³; (13)Polarizability: 12.97×10^-24cm³; (14)Surface Tension: 28 dyne/cm; (15)Density: 0.878 g/cm³; (16)Flash Point: 54.2 °C; (17)Enthalpy of Vaporization: 39.72 kJ/mol; (18)Boiling Point: 160.6 °C at 760 mmHg; (19)Vapour Pressure: 2.36 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC[C@H]1COCCN1
(2)InChI: InChI=1/C6H13NO/c1-2-6-5-8-4-3-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
(3)InChIKey: JBQWQBSRIAGTJT-LURJTMIEBJ
(4)Std. InChI: InChI=1S/C6H13NO/c1-2-6-5-8-4-3-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
(5)Std. InChIKey: JBQWQBSRIAGTJT-LURJTMIESA-N

Product Name

(S)-3-Ethylmorpholine

(S)-3-Ethylmorpholine Specification

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