Ethanamine, 2-((6,11-dihydro-6-methyldibenzo(c,f)thiazepin-11-yl)oxy)-N-methyl-, 5,5-dioxide(Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: Ethanamine, 2-((6,11-dihydro-6-methyldibenzo(c,f)thiazepin-11-yl)oxy)-N-methyl-, 5,5-dioxide(Z)-2-butenedioate (1:1)
• CAS No.: 155444-07-8
• Molecular Formula: C21H24N2O7S
• Molecular Weight: 448.4895
• Mol file: 155444-07-8.mol

Synonyms:155444-07-8;Ethanamine, 2-((6,11-dihydro-6-methyldibenzo(c,f)thiazepin-11-yl)oxy)-N-methyl-, 5,5-dioxide(Z)-2-butenedioate (1:1);(E)-but-2-enedioic acid;N-methyl-2-[(6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)oxy]ethanamine;HAKVMBUEJMNLIJ-WLHGVMLRSA-N;C17H20N2O3S.C4H4O4;LS-64983;C17-H20-N2-O3-S.C4-H4-O4

Chemical Property of Ethanamine, 2-((6,11-dihydro-6-methyldibenzo(c,f)thiazepin-11-yl)oxy)-N-methyl-, 5,5-dioxide(Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 8.04E-09mmHg at 25°C
• Boiling Point: 464.9°Cat760mmHg
• Flash Point: 235°C
• PSA: 141.62000
• Density: g/cm³
• LogP: 3.39900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 448.13042228
• Heavy Atom Count: 31
• Complexity: 610

Purity/Quality:

ETHANAMINE, 2-((6,11-DIHYDRO-6-METHYLDIBENZO(C,F)THIAZEPIN-11-YL)OXY)-N-METHYL-, 5,5-DIOXIDE(Z)-2-BUTENEDIOATE (1:1) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCOC1C2=CC=CC=C2N(S(=O)(=O)C3=CC=CC=C13)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CNCCOC1C2=CC=CC=C2N(S(=O)(=O)C3=CC=CC=C13)C.C(=C/C(=O)O)\C(=O)O