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220247-53-0 | 1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXAMIDE
CAS No: 220247-53-0 Catalog No: AG00BHBR MDL No:MFCD20527996
Product Description
Catalog Number:
AG00BHBR
Chemical Name:
1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXAMIDE
CAS Number:
220247-53-0
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD20527996
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-7-carboxamide
InChI:
InChI=1S/C10H12N2O/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-2,5,12H,3-4,6H2,(H2,11,13)
InChI Key:
DPCGMMLZFLMVGJ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc2c(c1)CNCC2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase. | Bioorganic & medicinal chemistry 20080101 |
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