Cas no 26579-69-1 (1H-Pyrido[3,4-b]indol-1-one,2,3,4,9-tetrahydro-7-methoxy-)
![1H-Pyrido[3,4-b]indol-1-one,2,3,4,9-tetrahydro-7-methoxy- structure](https://ossimg.kuujia.com/scimg/27000/26579-69-1x500.png)
26579-69-1 structure
Product Name:1H-Pyrido[3,4-b]indol-1-one,2,3,4,9-tetrahydro-7-methoxy-
CAS No:26579-69-1
MF:C12H12N2O2
MW:216.235882759094
CID:256859
PubChem ID:179484
Update Time:2025-04-19
1H-Pyrido[3,4-b]indol-1-one,2,3,4,9-tetrahydro-7-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrido[3,4-b]indol-1-one,2,3,4,9-tetrahydro-7-methoxy-
- 7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
- Harmalacidine
- DTXSID20181148
- CHEMBL4059776
- Ketotetrahydronorharmine
- 7-Methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
- InChI=1/C12H12N2O2/c1-16-7-2-3-8-9-4-5-13-12(15)11(9)14-10(8)6-7/h2-3,6,14H,4-5H2,1H3,(H,13,15
- Oxotetrahydronorharmine
- SCHEMBL1520427
- 26579-69-1
- Ketotetrahydronorharmin
- AKOS024171323
-
- Inchi： 1S/C12H12N2O2/c1-16-7-2-3-8-9-4-5-13-12(15)11(9)14-10(8)6-7/h2-3,6,14H,4-5H2,1H3,(H,13,15)
- InChI Key： MWEGNYFSTKOOSD-UHFFFAOYSA-N
- SMILES： O=C1C2=C(C3C=CC(=CC=3N2)OC)CCN1
Computed Properties
- Exact Mass: 216.08996
- Monoisotopic Mass: 216.089878
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 295
- 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
- Topological Polar Surface Area: 54.1
- XLogP3: 1.7
Experimental Properties
- Color/Form: Powder
- Density: 1.308
- Boiling Point: 549.2°C at 760 mmHg
- Flash Point: 286°C
- Refractive Index: 1.658
- PSA: 54.12
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