11-(2-Diethylaminoethylamino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin maleate

Base Information

• Chemical Name: 11-(2-Diethylaminoethylamino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin maleate
• CAS No.: 84964-47-6
• Molecular Formula: C30H34N2O4S
• Molecular Weight: 0
• Mol file: 84964-47-6.mol

Synonyms:11-(2-Diethylaminoethylamino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin maleate;84964-47-6;1,2-Ethanediamine, N,N-diethyl-N'-(6,11-dihydro-11-phenyldibenzo(b,e)thiepin-11-yl)-, (Z)-2-butenedioate (1:1);C26H30N2S.C4H4O4;C26-H30-N2-S.C4-H4-O4;LS-65401

Chemical Property of 11-(2-Diethylaminoethylamino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin maleate

Chemical Property:

• PSA: 115.17000
• LogP: 5.61830
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 518.22392874
• Heavy Atom Count: 37
• Complexity: 606

Purity/Quality:

11-(2-DIETHYLAMINOETHYLAMINO)-11-PHENYL-6,11-DIHYDRODIBENZO(B,E)THIEPI N MALEATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCNC1(C2=CC=CC=C2CSC3=CC=CC=C31)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCN(CC)CCNC1(C2=CC=CC=C2CSC3=CC=CC=C31)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

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