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Home > Quinoline > 137975-41-8
137975-41-8 | 3-(1,2,3,4-tetrahydroquinoline-1-carbonyl)aniline
CAS No: 137975-41-8 Catalog No: AG019Y5C MDL No:MFCD07360687
Product Description
Catalog Number:
AG019Y5C
Chemical Name:
3-(1,2,3,4-tetrahydroquinoline-1-carbonyl)aniline
CAS Number:
137975-41-8
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
MDL Number:
MFCD07360687
IUPAC Name:
(3-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
InChI:
InChI=1S/C16H16N2O/c17-14-8-3-6-13(11-14)16(19)18-10-4-7-12-5-1-2-9-15(12)18/h1-3,5-6,8-9,11H,4,7,10,17H2
InChI Key:
YRFLKTGGNRRKRF-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C(=O)N1CCCc2c1cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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