3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1)

Base Information

• Chemical Name: 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1)
• CAS No.: 68957-48-2
• Molecular Formula: C56H58N6O6S2
• Molecular Weight: 975.2263
• DSSTox Substance ID: DTXSID4071899

Synonyms:68957-48-2;3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1);3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1);3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1);3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1);C23H26N3.1/2C10H6O6S2;C23-H26-N3.1/2C10-H6-O6-S2;DTXSID4071899

Chemical Property of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 974.38592594
• Heavy Atom Count: 70
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
• Isomeric SMILES: CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/C3=CC=C(C=C3)N(CCC#N)C)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/C3=CC=C(C=C3)N(CCC#N)C)C.C1=CC2=C(C(=C1)S(=O)(=O)[O-])C=CC=C2S(=O)(=O)[O-]

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