Morpholine,2-[(S)-(2-ethoxyphenoxy)phenylmethyl]-, (2S)- (98819-76-2)

Identification
Name:	Morpholine,2-[(S)-(2-ethoxyphenoxy)phenylmethyl]-, (2S)-
Synonyms:	Morpholine,2-[(2-ethoxyphenoxy)phenylmethyl]-, [S-(R,R)]-;(S,S)-(+)-Reboxetine;Esreboxetine;
CAS:	98819-76-2
Molecular Formula:	C19H23 N O3
Molecular Weight:	313.39
Molecular Structure:
Properties
Density:	1.113
Specification:	The Esreboxetine with the CAS number 98819-76-2 is also called Morpholine,2-[(S)-(2-ethoxyphenoxy)phenylmethyl]-, (2S)-. The IUPAC name is (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine. Its molecular formula is C₁₉H₂₃NO₃. The classification code of this chemical is treatment of depression. Properties Computed from Structure: (1)XLogP3-AA: 3; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 6; (5)Exact Mass: 313.167794; (6)MonoIsotopic Mass: 313.167794; (7)Topological Polar Surface Area: 39.7; (8)Heavy Atom Count: 23; (9)Formal Charge: 0; (10)Complexity: 333; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 2; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1. You can still convert the following datas into molecular structure: (1)Canonical SMILES: CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3 (2)InChI: InChI=1S/C19H23NO3/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/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1 (3)InChIKey: CBQGYUDMJHNJBX-OALUTQOASA-N
Safety Data