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74808-78-9 | Quinoline, 4-butyl-
CAS No: 74808-78-9 Catalog No: AG005GWN MDL No:MFCD18448304
Product Description
Catalog Number:
AG005GWN
Chemical Name:
Quinoline, 4-butyl-
CAS Number:
74808-78-9
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
MDL Number:
MFCD18448304
IUPAC Name:
4-butylquinoline
InChI:
InChI=1S/C13H15N/c1-2-3-6-11-9-10-14-13-8-5-4-7-12(11)13/h4-5,7-10H,2-3,6H2,1H3
InChI Key:
MTSCTQMKKVEJHD-UHFFFAOYSA-N
SMILES:
CCCCc1ccnc2c1cccc2
Properties
Complexity:
167
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:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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