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Home > Indoles and Oxindole > 6208-60-2
6208-60-2 | 2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole
CAS No: 6208-60-2 Catalog No: AG003FDO MDL No:MFCD00464648
Product Description
Catalog Number:
AG003FDO
Chemical Name:
2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole
CAS Number:
6208-60-2
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD00464648
IUPAC Name:
2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
InChI:
InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12-13H,5-7H2
InChI Key:
RPROHCOBMVQVIV-UHFFFAOYSA-N
SMILES:
C1NCc2c(C1)[nH]c1c2cccc1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Binding of beta-carbolines at imidazoline I2 receptors: a structure-affinity investigation. | Bioorganic & medicinal chemistry letters 20040223 |
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