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Home > Indoles and Oxindole > 67932-67-6
67932-67-6 | 5-butylindoline
CAS No: 67932-67-6 Catalog No: AG01DWLC MDL No:MFCD09728554
Product Description
Catalog Number:
AG01DWLC
Chemical Name:
5-butylindoline
CAS Number:
67932-67-6
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD09728554
IUPAC Name:
5-butyl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C12H17N/c1-2-3-4-10-5-6-12-11(9-10)7-8-13-12/h5-6,9,13H,2-4,7-8H2,1H3
InChI Key:
ZIGXCARKYMFZKU-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)CCN2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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