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246247-91-6 | 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)aniline
CAS No: 246247-91-6 Catalog No: AG019LOI MDL No:MFCD07365122
Product Description
Catalog Number:
AG019LOI
Chemical Name:
2-(1,2,3,4-tetrahydroisoquinolin-2-yl)aniline
CAS Number:
246247-91-6
Molecular Formula:
C15H16N2
Molecular Weight:
224.3009
MDL Number:
MFCD07365122
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)aniline
InChI:
InChI=1S/C15H16N2/c16-14-7-3-4-8-15(14)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11,16H2
InChI Key:
SRFSVLGXQUCGKN-UHFFFAOYSA-N
SMILES:
Nc1ccccc1N1CCc2c(C1)cccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.307g/mol
Monoisotopic Mass:
224.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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