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Home > Quinoline > 207451-81-8
207451-81-8 | Isoquinoline, 1,2,3,4-tetrahydro-7-methyl-
CAS No: 207451-81-8 Catalog No: AG002J2E MDL No:MFCD03004622
Product Description
Catalog Number:
AG002J2E
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-7-methyl-
CAS Number:
207451-81-8
Molecular Formula:
C10H13N
Molecular Weight:
147.2169
MDL Number:
MFCD03004622
IUPAC Name:
7-methyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C10H13N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6,11H,4-5,7H2,1H3
InChI Key:
FCTMZZUXBMQAER-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CNCC2
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.221g/mol
Monoisotopic Mass:
147.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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