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67634-06-4 | 8-(1-METHYLPROPYL)-QUINOLINE
CAS No: 67634-06-4 Catalog No: AG006M6W MDL No:
Product Description
Catalog Number:
AG006M6W
Chemical Name:
8-(1-METHYLPROPYL)-QUINOLINE
CAS Number:
67634-06-4
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
8-butan-2-ylquinoline
InChI:
InChI=1S/C13H15N/c1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h4-10H,3H2,1-2H3
InChI Key:
UNHPNXMTAQYTRG-UHFFFAOYSA-N
SMILES:
CCC(c1cccc2c1nccc2)C
EC Number:
266-809-8
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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