3H-Indolium,1-ethyl-2-[3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-, iodide


Chemical Name: 3H-Indolium,1-ethyl-2-[3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-, iodide
CAS Number: 14696-39-0
Product Number: AG00ADRB(AGN-PC-0PZK91)
Synonyms:
MDL No: MFCD01073650
Molecular Formula: C27H33IN2
Molecular Weight: 512.4688

Identification/Properties


Properties
MP:
147 - 149°C
Storage:
-10 ℃;Inert atmosphere;Light sensitive;
Form:
Solid
Computed Properties
Molecular Weight:
512.479g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
512.169g/mol
Monoisotopic Mass:
512.169g/mol
Topological Polar Surface Area:
6.2A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
650
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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