Cas no 473434-14-9 (Cyclohepta[b]pyrrole, 2-(1-methylethyl)- (9CI))
![Cyclohepta[b]pyrrole, 2-(1-methylethyl)- (9CI) structure](https://ossimg.kuujia.com/scimg/473500/473434-14-9x500.png)
473434-14-9 structure
Product Name:Cyclohepta[b]pyrrole, 2-(1-methylethyl)- (9CI)
CAS No:473434-14-9
MF:C12H13N
MW:171.238322973251
CID:930870
PubChem ID:45096508
Update Time:2025-04-19
Cyclohepta[b]pyrrole, 2-(1-methylethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclohepta[b]pyrrole, 2-(1-methylethyl)- (9CI)
- CYCLOHEPTA[B]PYRROLE, 2-(1-METHYLETHYL)-
- 473434-14-9
- DB-286271
-
- Inchi： 1S/C12H13N/c1-9(2)12-8-10-6-4-3-5-7-11(10)13-12/h3-9H,1-2H3
- InChI Key： ZEEKYYVXNIZNDE-UHFFFAOYSA-N
- SMILES： N1C2=CC=CC=CC2=CC=1C(C)C
Computed Properties
- Exact Mass: 171.104799419g/mol
- Monoisotopic Mass: 171.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 165
- 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: 3
- Topological Polar Surface Area: 12.9?2
Cyclohepta[b]pyrrole, 2-(1-methylethyl)- (9CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
473434-14-9 (Cyclohepta[b]pyrrole, 2-(1-methylethyl)- (9CI)) Related Products
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