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41085-99-8

Basic Information
CAS No.: 41085-99-8
Name: 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
Molecular Structure:
Molecular Structure of 41085-99-8 (1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate)
Formula: C59 H97 N2 . Cl O4
Molecular Weight: 933.87
Synonyms: D 282 (dye);DiI (dye);
Melting Point: 68 °C (dec.)(lit.)
Safety: 22-24/25
PSA: 80.52000
LogP: 19.06180
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Chemistry

Molecular Structure of 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate (CAS NO.41085-99-8):

Systematic Name: 2-[(1E,3Z)-3-(3,3-Dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate 
Molecular Formula: C59H97N2.ClO4
Molecular Weight: 933.87 
Mol File: 41085-99-8.mol
Melting Point: 68 °C (dec.)(lit.)
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 36
Solubility: DMF: soluble 
SMILES: [O-]Cl(=O)(=O)=O.c1cccc4c1C(C(=C\C=C\C3=[N+](\c2ccccc2C3(C)C)CCCCCCCCCCCCCCCCCC)\N4CCCCCCCCCCCCCCCCCC)(C)C
InChI: InChI=1/C59H97N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey: JVXZRNYCRFIEGV-REWHXWOFAW

Uses

 The fluorescent stain 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate (CAS NO.41085-99-8) perchlorate was used to identify calices enclosing single MNTB neuronal somata in fixed tissue and Lucifer Yellow in living slices .

Safety Profile

Safety Information of 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate (CAS NO.41085-99-8):
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
F: 8

Specification

 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate (CAS NO.41085-99-8), its Synonyms are 3H-Indolium,2-[3-(1,3-dihydro-3,3- dimethyl-1-octadecyl-2H-indol-2-ylidene)- 1-propenyl]-3,3-dimethyl-1-octadecyl-,perchlorate ; DII (DYE) ; DII ; DIL ; 2-[(E)-3-(3,3-Dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate .