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1333235-93-0 | 2,2,4-trimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydroquinoline
CAS No: 1333235-93-0 Catalog No: AG01BHJP MDL No:MFCD24618912
Product Description
Catalog Number:
AG01BHJP
Chemical Name:
2,2,4-trimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydroquinoline
CAS Number:
1333235-93-0
Molecular Formula:
C15H23N
Molecular Weight:
217.3498
MDL Number:
MFCD24618912
IUPAC Name:
2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline
InChI:
InChI=1S/C15H23N/c1-10(2)12-7-6-8-13-11(3)9-15(4,5)16-14(12)13/h6-8,10-11,16H,9H2,1-5H3
InChI Key:
BQQNDMBMWBJZKU-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1NC(C)(C)CC2C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.356g/mol
Monoisotopic Mass:
217.183g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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