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Home > Indoles and Oxindole > 89188-95-4
89188-95-4 | 1H-Indole, 2-butyl-3-ethyl-
CAS No: 89188-95-4 Catalog No: AG003VN0 MDL No:
Product Description
Catalog Number:
AG003VN0
Chemical Name:
1H-Indole, 2-butyl-3-ethyl-
CAS Number:
89188-95-4
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
IUPAC Name:
2-butyl-3-ethyl-1H-indole
InChI:
InChI=1S/C14H19N/c1-3-5-9-13-11(4-2)12-8-6-7-10-14(12)15-13/h6-8,10,15H,3-5,9H2,1-2H3
InChI Key:
IFCNLMMBVVNZAP-UHFFFAOYSA-N
SMILES:
CCCCc1[nH]c2c(c1CC)cccc2
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:
4.6
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