Captodiame hydrochloride

Base Information

• Chemical Name: Captodiame hydrochloride
• CAS No.: 904-04-1
• Molecular Formula: C21H30ClNS2
• Molecular Weight: 396.0526
• European Community (EC) Number: 212-992-4
• UNII: 9I7N9PR9J2
• ChEMBL ID: CHEMBL2106143
• DSSTox Substance ID: DTXSID10920402
• NCI Thesaurus Code: C76504
• Wikidata: Q27272594
• Mol file: 904-04-1.mol

Synonyms:Captodiame hydrochloride;904-04-1;Covatine;Captodiame HCl;Suvren;Captodiamine hydrochloride;Covatix;2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine;hydrochloride;9I7N9PR9J2;Ethanamine, 2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-, hydrochloride (1:1);ETHANAMINE, 2-(((4-(BUTYLTHIO)PHENYL)PHENYLMETHYL)THIO)-N,N-DIMETHYL-, HYDROCHLORIDE (1:1);SCHEMBL1144652;CHEMBL2106143;DTXSID10920402;CAPTODIAME HYDROCHLORIDE [MI];(+/-)-CAPTODIAME HYDROCHLORIDE;CAPTODIAME HYDROCHLORIDE [MART.];CAPTODIAME HYDROCHLORIDE [WHO-DD];CAPTODIAME HYDROCHLORIDE, (+/-)-;NS00079335;Q27272594;2-(P-(BUTYLTHIO)-.ALPHA.-PHENYLBENZYLTHIO)-N,N-DIMETHYLETHYLAMINE HYDROCHLORIDE;2-({[4-(Butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)

Chemical Property of Captodiame hydrochloride

Chemical Property:

• Vapor Pressure: 7.26E-09mmHg at 25°C
• Melting Point: 131-132°
• Boiling Point: 466.1°C at 760 mmHg
• Flash Point: 235.7°C
• PSA: 53.84000
• LogP: 6.76500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 395.1508200
• Heavy Atom Count: 25
• Complexity: 307

Purity/Quality:

98%Min ^*data from raw suppliers

CAPTODIAMINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN(C)C.Cl