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146041-91-0 | 4-(1H-1,2,3-Benzotriazol-1-yl)-1-methyl-1,2,3,4-tetrahydroquinoline
CAS No: 146041-91-0 Catalog No: AG01F5FD MDL No:
Product Description
Catalog Number:
AG01F5FD
Chemical Name:
4-(1H-1,2,3-Benzotriazol-1-yl)-1-methyl-1,2,3,4-tetrahydroquinoline
CAS Number:
146041-91-0
Molecular Formula:
C16H16N4
Molecular Weight:
264.3250
IUPAC Name:
4-(benzotriazol-1-yl)-1-methyl-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C16H16N4/c1-19-11-10-15(12-6-2-4-8-14(12)19)20-16-9-5-3-7-13(16)17-18-20/h2-9,15H,10-11H2,1H3
InChI Key:
NVFNHAIQAMNQQW-UHFFFAOYSA-N
SMILES:
CN1CCC(c2c1cccc2)n1nnc2c1cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.332g/mol
Monoisotopic Mass:
264.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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