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Reference substances

Reference substances

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General information

Inventory

EC number:
276-470-8
EC name:
2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
CAS number:
72208-20-9

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Reference substance information

IUPAC name:
dihydrogen 2-[(E)-2-{4-[(2-cyanoethyl)(ethyl)amino]-2-methylphenyl}ethenyl]-1,3,3-trimethyl-3H-indol-1-ium phosphate
Synonyms
Names:
3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino] -2-methylphenyl]ethenyl]-1,3,3-trimethyl -, phosphate (1:1)
3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, phosphate (1:1)
2-(2-{4-[(2-cyanoethyl)(ethyl)amino]-2-methylphenyl}ethenyl)-1,3,3-trimethyl-3H-indol-1-ium dihydrogen phosphate

CAS information

CAS number:
72208-20-9

Molecular and structural information

Molecular formula:
C25H30N3.H2O4P
C25H32N3O4P
Molecular weight:
469.519
SMILES notation:
P(=O)(O)(O)[O-].C(#N)CCN(C1=CC(=C(C=C1)C=CC1=[N+](C2=CC=CC=C2C1(C)C)C)C)CC
InChl:
InChI=1S/C25H30N3.H3O4P/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5;1-5(2,3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;(H3,1,2,3,4)/q+1;/p-1
Structural formula:
Chemical structure