Cas no 4894-26-2 (4,9-dihydro-3H-beta-carboline)
4,9-dihydro-3H-beta-carboline structure
Product Name:4,9-dihydro-3H-beta-carboline
CAS No:4894-26-2
MF:C11H10N2
MW:170.210502147675
CID:844793
PubChem ID:145772
Update Time:2025-04-19
4,9-dihydro-3H-beta-carboline Chemical and Physical Properties
Names and Identifiers
-
- 4,9-dihydro-3H-beta-carboline
- 3H-Pyrido(3,4-b)indole, 4,9-dihydro-
- 4,9-dihydro-3H-Pyrido[3,4-b]indole
- 3,4-dihydrobeta-carboline
-
- Inchi： 1S/C11H10N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,7,13H,5-6H2
- InChI Key： NTYXKFHKVREUMR-UHFFFAOYSA-N
- SMILES： N1C2C=CC=CC=2C2=C1C=NCC2
Computed Properties
- Exact Mass: 170.08400
- Monoisotopic Mass: 170.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 28.15000
- LogP: 1.57850
4,9-dihydro-3H-beta-carboline Related Literature
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
4894-26-2 (4,9-dihydro-3H-beta-carboline) Related Products
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