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75413-99-9 | Quinoline, 8-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-
CAS No: 75413-99-9 Catalog No: AG005BW2 MDL No:MFCD20282732
Product Description
Catalog Number:
AG005BW2
Chemical Name:
Quinoline, 8-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-
CAS Number:
75413-99-9
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
MDL Number:
MFCD20282732
IUPAC Name:
8-tert-butyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C13H19N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4,6,8,14H,5,7,9H2,1-3H3
InChI Key:
FTAFKJQTGWHYTC-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1NCCC2)(C)C
EC Number:
278-203-0
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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