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83095-06-1 | N-((3,4-DIHYDRO-2(1H)-ISOQUINOLYL)METHYL)SUCCINIMIDE
CAS No: 83095-06-1 Catalog No: AG004WRV MDL No:
Product Description
Catalog Number:
AG004WRV
Chemical Name:
N-((3,4-DIHYDRO-2(1H)-ISOQUINOLYL)METHYL)SUCCINIMIDE
CAS Number:
83095-06-1
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C14H16N2O2/c17-13-5-6-14(18)16(13)10-15-8-7-11-3-1-2-4-12(11)9-15/h1-4H,5-10H2
InChI Key:
FTMAYTLLZJHDEK-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CN1CCc2c(C1)cccc2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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