ETONITAZENYL ISOTHIOCYANATE

CAS No.
85951-65-1
CCD No.
CCD00901327
Formula
C23 H28 N4 O S
MolWeight
408.567

Basic Information

Product Name: ETONITAZENYL ISOTHIOCYANATE
CAS: 85951-65-1
English Synonyms: 2-[2-[(4-ETHOXYPHENYL)METHYL]-5-ISOTHIOCYANATOBENZIMIDAZOL-1-YL]-N,N-DIETHYLETHANAMINE ; 2-[(4-ETHOXYPHENYL)METHYL]-N,N-DIETHYL-5-ISOTHIOCYANO-1H-BENZIMIDAZOLE-1-ETHANAMINE ; BIT ; 1-[2-(N,N-DIETHYLAMINO)ETHYL]-2-(4-ETHOXYBENZYL)BENZIMIDAZOLE-5-ISOTHIOCYANATE ; ETONITAZENYL ISOTHIOCYANATE
MDL Number.: MFCD09971015
H bond acceptor: 5
H bond donor: 0
Smile: CCN(CC)CCn1c2ccc(cc2nc1Cc3ccc(cc3)OCC)N=C=S
InChi: InChI=1S/C23H28N4OS/c1-4-26(5-2)13-14-27-22-12-9-19(24-17-29)16-21(22)25-23(27)15-18-7-10-20(11-8-18)28-6-3/h7-12,16H,4-6,13-15H2,1-3H3
InChiKey: InChIKey=QIIKEXXYYPDZHL-UHFFFAOYSA-N

Property

Melting Point: 64-66 DEG C
Comments: STORAGE TEMPERATURE: -20 DEG C
UNSPSC: 12352100
WGK: 3

Safety information

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