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42951-36-0 | 1H-Indole, 2-methyl-1-pentyl-
CAS No: 42951-36-0 Catalog No: AG0070A9 MDL No:
Product Description
Catalog Number:
AG0070A9
Chemical Name:
1H-Indole, 2-methyl-1-pentyl-
CAS Number:
42951-36-0
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
IUPAC Name:
2-methyl-1-pentylindole
InChI:
InChI=1S/C14H19N/c1-3-4-7-10-15-12(2)11-13-8-5-6-9-14(13)15/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChI Key:
GBWXBGHPYIJYPV-UHFFFAOYSA-N
SMILES:
CCCCCn1c(C)cc2c1cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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