200,000+ products from a single source!
sales@angenechem.com
29726-60-1 | Isoquinoline, 1,2,3,4-tetrahydro-3-methyl-
CAS No: 29726-60-1 Catalog No: AG002Z83 MDL No:MFCD07187817
Product Description
Catalog Number:
AG002Z83
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-3-methyl-
CAS Number:
29726-60-1
Molecular Formula:
C10H13N
Molecular Weight:
147.2169
MDL Number:
MFCD07187817
IUPAC Name:
3-methyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,8,11H,6-7H2,1H3
InChI Key:
UEKQPSAKUNXFHL-UHFFFAOYSA-N
SMILES:
CC1NCc2c(C1)cccc2
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Synthesis of chiral 3-methyl- and 3-methyl-N-propargyl-1,2,3,4-tetrahydroisoquinoline and prevention of MPP+ -induced cytotoxicity. | Medicinal chemistry (Shariqah (United Arab Emirates)) 20081101 |
| 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 |
| Application of the Goldilocks effect to the design of potent and selective inhibitors of phenylethanolamine N-methyltransferase: balancing pKa and steric effects in the optimization of 3-methyl-1,2,3,4-tetrahydroisoquinoline inhibitors by beta-fluorination. | Journal of medicinal chemistry 20060518 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.