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40339-94-4 | N-(1-Isoquinolyl)-3,3-dimethylbutanamide
CAS No: 40339-94-4 Catalog No: AG00D6BF MDL No:
Product Description
Catalog Number:
AG00D6BF
Chemical Name:
N-(1-Isoquinolyl)-3,3-dimethylbutanamide
CAS Number:
40339-94-4
IUPAC Name:
N-isoquinolin-1-yl-3,3-dimethylbutanamide
InChI:
InChI=1S/C15H18N2O/c1-15(2,3)10-13(18)17-14-12-7-5-4-6-11(12)8-9-16-14/h4-9H,10H2,1-3H3,(H,16,17,18)
InChI Key:
GFCLWMDENFGZNM-UHFFFAOYSA-N
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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