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42923-77-3 | 6-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS No: 42923-77-3 Catalog No: AG00BXB0 MDL No:MFCD01717129
Product Description
Catalog Number:
AG00BXB0
Chemical Name:
6-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS Number:
42923-77-3
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD01717129
IUPAC Name:
6-methoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3
InChI Key:
YYTAYINRPUJPNH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCNC2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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