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Home > Indoles and Oxindole > 145038-06-8
145038-06-8 | 1H-Benz[e]indolium, 3-butyl-1,1,2-trimethyl-
CAS No: 145038-06-8 Catalog No: AG001KI2 MDL No:
Product Description
Catalog Number:
AG001KI2
Chemical Name:
1H-Benz[e]indolium, 3-butyl-1,1,2-trimethyl-
CAS Number:
145038-06-8
Molecular Formula:
C19H24N+
Molecular Weight:
266.4006
IUPAC Name:
1-butyl-2,3,3-trimethylbenzo[e]indol-3-ium;perchlorate
InChI:
InChI=1S/C19H24N.ClHO4/c1-5-6-10-16-14(2)20(3,4)18-13-12-15-9-7-8-11-17(15)19(16)18;2-1(3,4)5/h7-9,11-13H,5-6,10H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
JNWRXOXJOCIKHX-UHFFFAOYSA-M
SMILES:
CCCC[N+]1=C(C)C(c2c1ccc1c2cccc1)(C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.139g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.854g/mol
Monoisotopic Mass:
365.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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