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Home > Indoles and Oxindole > 87587-40-4
87587-40-4 | 1H-Indole, 2-butyl-1-(phenylmethyl)-
CAS No: 87587-40-4 Catalog No: AG004IVB MDL No:
Product Description
Catalog Number:
AG004IVB
Chemical Name:
1H-Indole, 2-butyl-1-(phenylmethyl)-
CAS Number:
87587-40-4
Molecular Formula:
C19H21N
Molecular Weight:
263.3767
IUPAC Name:
1-benzyl-2-butylindole
InChI:
InChI=1S/C19H21N/c1-2-3-12-18-14-17-11-7-8-13-19(17)20(18)15-16-9-5-4-6-10-16/h4-11,13-14H,2-3,12,15H2,1H3
InChI Key:
JBKRDAQGHMMBRE-UHFFFAOYSA-N
SMILES:
CCCCc1cc2c(n1Cc1ccccc1)cccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.384g/mol
Monoisotopic Mass:
263.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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