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88630-43-7 | 2(1H)-Isoquinolinecarboxamide,3,4-dihydro-N-propyl-
CAS No: 88630-43-7 Catalog No: AG0049UY MDL No:
Product Description
Catalog Number:
AG0049UY
Chemical Name:
2(1H)-Isoquinolinecarboxamide,3,4-dihydro-N-propyl-
CAS Number:
88630-43-7
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
InChI:
InChI=1S/C13H18N2O/c1-2-8-14-13(16)15-9-7-11-5-3-4-6-12(11)10-15/h3-6H,2,7-10H2,1H3,(H,14,16)
InChI Key:
JORKKSUCVHWJBE-UHFFFAOYSA-N
SMILES:
CCCNC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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