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Home > Indoles and Oxindole > 89188-97-6
89188-97-6 | 1H-Indole, 3-butyl-2-ethyl-
CAS No: 89188-97-6 Catalog No: AG003VZS MDL No:
Product Description
Catalog Number:
AG003VZS
Chemical Name:
1H-Indole, 3-butyl-2-ethyl-
CAS Number:
89188-97-6
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
IUPAC Name:
3-butyl-2-ethyl-1H-indole
InChI:
InChI=1S/C14H19N/c1-3-5-8-11-12-9-6-7-10-14(12)15-13(11)4-2/h6-7,9-10,15H,3-5,8H2,1-2H3
InChI Key:
KXPZPIYXFZFMGT-UHFFFAOYSA-N
SMILES:
CCCCc1c(CC)[nH]c2c1cccc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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