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245547-23-3 | Ethanone, 1-(6-amino-3,4-dihydro-2(1H)-isoquinolinyl)-
CAS No: 245547-23-3 Catalog No: AG002OIL MDL No:MFCD16659706
Product Description
Catalog Number:
AG002OIL
Chemical Name:
Ethanone, 1-(6-amino-3,4-dihydro-2(1H)-isoquinolinyl)-
CAS Number:
245547-23-3
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD16659706
IUPAC Name:
1-(6-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C11H14N2O/c1-8(14)13-5-4-9-6-11(12)3-2-10(9)7-13/h2-3,6H,4-5,7,12H2,1H3
InChI Key:
BXIRBANUPCBHGO-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)CCN(C2)C(=O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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