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736900-25-7 | 3-Isoquinolinecarboxamide,1,2,3,4-tetrahydro-N-phenyl-(9CI)
CAS No: 736900-25-7 Catalog No: AG00FTDC MDL No:
Product Description
Catalog Number:
AG00FTDC
Chemical Name:
3-Isoquinolinecarboxamide,1,2,3,4-tetrahydro-N-phenyl-(9CI)
CAS Number:
736900-25-7
IUPAC Name:
N-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChI:
InChI=1S/C16H16N2O/c19-16(18-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-17-15/h1-9,15,17H,10-11H2,(H,18,19)
InChI Key:
IBLNCMITLWVMOM-UHFFFAOYSA-N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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