Cas no 123064-44-8 (1,2-dimethyl-2,9-dihydro-7H-beta-carbolin-7-one)
123064-44-8 structure
Product Name:1,2-dimethyl-2,9-dihydro-7H-beta-carbolin-7-one
CAS No:123064-44-8
MF:C13H12N2O
MW:212.247182846069
CID:1215665
PubChem ID:180157
Update Time:2025-04-20
1,2-dimethyl-2,9-dihydro-7H-beta-carbolin-7-one Chemical and Physical Properties
Names and Identifiers
-
- 1,2-dimethyl-2,9-dihydro-7H-beta-carbolin-7-one
- 1,2-dimethyl-9H-pyrido[3,4-b]indol-7-one
- 1,2-Dimethyl-9H-pyrido(3,4-b)indol-7-one
- 123064-44-8
- 1,2-Dimethyl-2,9-dihydro-7H-pyrido[3,4-b]indol-7-one
- 9H-Pyrido(3,4-b)indol-7-one, 1,2-Dimethyl-
- DTXSID50924363
-
- Inchi： 1S/C13H12N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-7,14H,1-2H3
- InChI Key： DWXVLSIMGPCVKY-UHFFFAOYSA-N
- SMILES： O=C1C=CC2C(=C1)NC1=C(C)N(C)C=CC1=2
Computed Properties
- Exact Mass: 212.09506
- Monoisotopic Mass: 212.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 544
- 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: 0.9
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 32.34
1,2-dimethyl-2,9-dihydro-7H-beta-carbolin-7-one Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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