Cas no 141276-50-8 (1H-Pyrido[3,4-b]indol-1-one, 2-(2-azidobenzoyl)-2,3,4,9-tetrahydro-)
![1H-Pyrido[3,4-b]indol-1-one, 2-(2-azidobenzoyl)-2,3,4,9-tetrahydro- structure](https://ossimg.kuujia.com/scimg/141500/141276-50-8x500.png)
141276-50-8 structure
Product Name:1H-Pyrido[3,4-b]indol-1-one, 2-(2-azidobenzoyl)-2,3,4,9-tetrahydro-
CAS No:141276-50-8
MF:C18H13N5O2
MW:331.328122854233
CID:1302706
PubChem ID:50992526
Update Time:2025-04-20
1H-Pyrido[3,4-b]indol-1-one, 2-(2-azidobenzoyl)-2,3,4,9-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrido[3,4-b]indol-1-one, 2-(2-azidobenzoyl)-2,3,4,9-tetrahydro-
- 2-(2-azidobenzoyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one
- 2-(2-Azidobenzoyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
- 141276-50-8
- DTXSID80679177
-
- Inchi： 1S/C18H13N5O2/c19-22-21-15-8-4-2-6-13(15)17(24)23-10-9-12-11-5-1-3-7-14(11)20-16(12)18(23)25/h1-8,20H,9-10H2
- InChI Key： AWGCFBCYZZLIGD-UHFFFAOYSA-N
- SMILES： O=C1C2=C(C3C=CC=CC=3N2)CCN1C(C1C=CC=CC=1N=[N+]=[N-])=O
Computed Properties
- Exact Mass: 331.10709
- Monoisotopic Mass: 331.10692467g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 602
- 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: 4.2
- Topological Polar Surface Area: 67.5?2
Experimental Properties
- PSA: 101.93
1H-Pyrido[3,4-b]indol-1-one, 2-(2-azidobenzoyl)-2,3,4,9-tetrahydro- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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