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68141-13-9 | 6-tert-Butylquinoline , 98%
CAS No: 68141-13-9 Catalog No: AG003NC3 MDL No:MFCD02683023
Product Description
Catalog Number:
AG003NC3
Chemical Name:
6-tert-Butylquinoline , 98%
CAS Number:
68141-13-9
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
MDL Number:
MFCD02683023
IUPAC Name:
6-tert-butylquinoline
InChI:
InChI=1S/C13H15N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3
InChI Key:
JHAWWJQGHKGXHA-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)cccn2)(C)C
EC Number:
268-835-5
Properties
Complexity:
192
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:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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