1-Piperazinamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3-(2-(dimethylamino)ethoxy)phenyl)methylene)-, hydrochloride, hydrate (1:1:1)

Base Information

• Chemical Name: 1-Piperazinamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3-(2-(dimethylamino)ethoxy)phenyl)methylene)-, hydrochloride, hydrate (1:1:1)
• CAS No.: 86759-08-2
• Molecular Formula: C29H34Cl2N4OS
• Molecular Weight: 575.601
• Mol file: 86759-08-2.mol

Synonyms:1-Piperazinamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3-(2-(dimethylamino)ethoxy)phenyl)methylene)-, hydrochloride, hydrate (1:1:1);86759-08-2;C29H33ClN4OS.ClH.H2O;C29-H33-Cl-N4-O-S.Cl-H.H2-O;LS-109856

Chemical Property of 1-Piperazinamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3-(2-(dimethylamino)ethoxy)phenyl)methylene)-, hydrochloride, hydrate (1:1:1)

Chemical Property:

• Vapor Pressure: 1.9E-16mmHg at 25°C
• Boiling Point: 643.4°C at 760 mmHg
• Flash Point: 342.9°C
• PSA: 56.61000
• LogP: 6.35830
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 556.1830383
• Heavy Atom Count: 37
• Complexity: 703

Purity/Quality:

1-PIPERAZINAMINE, 4-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-N-((3-(2-(DIMETHYLAMINO)ETHOXY)PHENYL)METHYLENE)-, HYDROCHLORIDE, HYDR ATE (1:1:1) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCOC1=CC=CC(=C1)C=NN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl
• Isomeric SMILES: CN(C)CCOC1=CC=CC(=C1)/C=N/N2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl