1H-Benz[e]indole, 1,1,2-trimethyl-


Chemical Name: 1H-Benz[e]indole, 1,1,2-trimethyl-
CAS Number: 41532-84-7
Product Number: AG003D6D(AGN-PC-0JPRFF)
Synonyms:
MDL No: MFCD00082627
Molecular Formula: C15H15N
Molecular Weight: 209.2863

Identification/Properties


Properties
MP:
111-117 °C
BP:
333.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5720 (estimate)
Solubility:
insoluble (20°C)
Computed Properties
Molecular Weight:
209.292g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
209.12g/mol
Monoisotopic Mass:
209.12g/mol
Topological Polar Surface Area:
12.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
315
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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