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19007-80-8 | Benzenamine, 2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-
CAS No: 19007-80-8 Catalog No: AG002EB0 MDL No:
Product Description
Catalog Number:
AG002EB0
Chemical Name:
Benzenamine, 2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-
CAS Number:
19007-80-8
Molecular Formula:
C15H16N2
Molecular Weight:
224.3009
IUPAC Name:
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
InChI:
InChI=1S/C15H16N2/c16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15/h1-8,15,17H,9-10,16H2
InChI Key:
WRDSJOCZQDJYRU-UHFFFAOYSA-N
SMILES:
Nc1ccccc1C1NCCc2c1cccc2
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:
2
Isotope Atom Count:
0
Molecular Weight:
224.307g/mol
Monoisotopic Mass:
224.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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