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486-17-9

Basic Information
CAS No.: 486-17-9
Name: captodiame
Molecular Structure:
Molecular Structure of 486-17-9 (captodiame)
Formula: C21H29 N S2
Molecular Weight: 359.6
Synonyms: Ethylamine,2-[[p-(butylthio)-a-phenylbenzyl]thio]-N,N-dimethyl- (6CI,7CI,8CI); 2-[[p-(Butylthio)-a-phenylbenzyl]thio]-N,N-dimethylethylamine;Captodiam; Captodiame; Captodiamin; Captodiamine; Captodramin; Captodramine;Covatin; p-Butylmercaptobenzhydryl b-dimethylaminoethyl sulfide; p-Butylthiodiphenylmethyl2-dimethylaminoethyl sulfide
Density: 1.08g/cm3
Boiling Point: 466.1°Cat760mmHg
Flash Point: 235.7°C
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. See also MERCAPTANS and SULFIDES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 53.84000
LogP: 5.96300
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  • Ethanamine,2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-

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    superior quality Appearance:powder Storage:Stored in cool, dry and ventilation place; Away from fire and heat Package:1kg/bag, 1kg/drum or 25kg/drum or as per your request. Application:Used as Pharmaceutical Intermediates Transportation:as per your

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  • Ethanamine,2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-

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    486-17-9

    Ethanamine,2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-

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  • Ethanamine,2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-

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    Ethanamine,2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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  • Ethanamine,2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-

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    Ethanamine,2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-

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    Ethanamine,2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

Empirical Formula of Captodiame (CAS NO.486-17-9): C21H29NS2
Molecular Weight: 359.5917 
EINECS: 207-629-1
Index of Refraction: 1.596
Density: 1.08 g/cm3
Flash Point: 235.7 °C
Enthalpy of Vaporization: 72.79 kJ/mol
Boiling Point: 466.1 °C at 760 mmHg
Vapour Pressure: 7.26E-09 mmHg at 25 °C
Structure of Captodiame (CAS NO.486-17-9):
                       
IUPAC Name: 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
Canonical SMILES: CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN(C)C
InChI: InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3
InChIKey: IZLPZXSZLLELBJ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:3800 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),154.
2.    

ipr-rat LD50:343 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),154.
3.    

orl-mus LD50:1630 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),154.
4.    

ipr-mus LD50:116 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 108 (1953),201.
5.    

scu-mus LD50:1750 mg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 136 (1962),440.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. See also MERCAPTANS and SULFIDES. When heated to decomposition it emits very toxic fumes of NOx and SOx.

Specification

 Captodiame , its cas register number is 486-17-9. It also can be called Captodramine ; Covatine ; Covatix ; and Suvren . Captodiame (CAS NO.486-17-9) is a derivative of diphenhydramine, and is an antihistamine sold which is used as a sedative and anxiolytic.