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138202-71-8 | 1-Isoquinolinecarboxamide, N-methyl-N-2-propyn-1-yl-
CAS No: 138202-71-8 Catalog No: AG0018A8 MDL No:
Product Description
Catalog Number:
AG0018A8
Chemical Name:
1-Isoquinolinecarboxamide, N-methyl-N-2-propyn-1-yl-
CAS Number:
138202-71-8
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
N-methyl-N-prop-2-ynylisoquinoline-1-carboxamide
InChI:
InChI=1S/C14H12N2O/c1-3-10-16(2)14(17)13-12-7-5-4-6-11(12)8-9-15-13/h1,4-9H,10H2,2H3
InChI Key:
UPXWOOIMJFMJRU-UHFFFAOYSA-N
SMILES:
C#CCN(C(=O)c1nccc2c1cccc2)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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