6-methyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline - CAS 529476-77-5
Catalog: |
BB052377 |
Product Name: |
6-methyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline |
CAS: |
529476-77-5 |
Synonyms: |
6-Methyl-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole |
IUPAC Name: | 6-methyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
Molecular Weight: | 276.37 |
Molecular Formula: | C19H20N2 |
Canonical SMILES: | CC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)C |
InChI: | InChI=1S/C19H20N2/c1-12-3-6-14(7-4-12)18-19-15(9-10-20-18)16-11-13(2)5-8-17(16)21-19/h3-8,11,18,20-21H,9-10H2,1-2H3 |
InChI Key: | MKXIPSOZLXGOFM-UHFFFAOYSA-N |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.162648646 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.162648646 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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