Reboxetine Methanesulfonate supplier

Name
Reboxetine Methanesulfonate
EINECS
CAS No. 98769-82-5
Article Data3
CAS DataBase
Density
Solubility
Melting Point 145-146°
Formula C₂₀H₂₇NO₆S
Boiling Point 443.7 °C at 760 mmHg
Molecular Weight 409.503
Flash Point 188.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Reboxetine methanesulfonate
PSA 102.47000
LogP 4.10740

Reboxetine Methanesulfonate Specification

The Reboxetine Methanesulfonate is an organic compound with the formula C₂₀H₂₇NO₆S. The IUPAC name of this chemical is (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine; methanesulfonic acid. With the CAS registry number 98769-82-5, it is also named as 1-[((2R)morpholin-2-yl)phenylmethoxy]-2-ethoxybenzene, methanesulfonic acid.

Physical properties about Reboxetine Methanesulfonate are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 0.15; (3)ACD/LogD (pH 7.4): 1.8; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 7.9; (6)ACD/KOC (pH 5.5): 1.73; (7)ACD/KOC (pH 7.4): 78.64; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 30.93 Å²; (12)Flash Point: 188.2 °C; (13)Enthalpy of Vaporization: 70.14 kJ/mol; (14)Boiling Point: 443.7 °C at 760 mmHg; (15)Vapour Pressure: 4.54E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C.O(c1ccccc1OCC)[C@H](c2ccccc2)[C@@H]3OCCNC3
(2)InChI: InChI=1/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)/t18-,19-;/m1./s1
(3)InChIKey: CGTZMJIMMUNLQD-STYNFMPRBT
(4)Std. InChI: InChI=1S/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)/t18-,19-;/m1./s1
(5)Std. InChIKey: CGTZMJIMMUNLQD-STYNFMPRSA-N

Product Name

Reboxetine Methanesulfonate

Reboxetine Methanesulfonate Specification

Related Products

Hot Products