Cas no 13618-92-3 (1,4,5,6,7,8-hexahydro-Cyclohepta[b]pyrrole)
![1,4,5,6,7,8-hexahydro-Cyclohepta[b]pyrrole structure](https://ossimg.kuujia.com/scimg/14000/13618-92-3x500.png)
13618-92-3 structure
Product Name:1,4,5,6,7,8-hexahydro-Cyclohepta[b]pyrrole
CAS No:13618-92-3
MF:C9H13N
MW:135.206222295761
CID:1105268
PubChem ID:12332153
Update Time:2025-04-20
1,4,5,6,7,8-hexahydro-Cyclohepta[b]pyrrole Chemical and Physical Properties
Names and Identifiers
-
- 1,4,5,6,7,8-hexahydro-Cyclohepta[b]pyrrole
- 1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole
- 2,3-pentamethylene pyrrole
- SCHEMBL4065666
- 13618-92-3
- Cyclohepta[b]pyrrole, 1,4,5,6,7,8-hexahydro-
- DTXSID30490677
- 1H,4H,5H,6H,7H,8H-CYCLOHEPTA[B]PYRROLE
- AKOS006346854
-
- Inchi： 1S/C9H13N/c1-2-4-8-6-7-10-9(8)5-3-1/h6-7,10H,1-5H2
- InChI Key： PSWWJFXURJCADQ-UHFFFAOYSA-N
- SMILES： N1C=CC2=C1CCCCC2
Computed Properties
- Exact Mass: 135.10489
- Monoisotopic Mass: 135.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 111
- 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: 2.5
- Topological Polar Surface Area: 15.8?2
Experimental Properties
- PSA: 15.79
1,4,5,6,7,8-hexahydro-Cyclohepta[b]pyrrole Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
13618-92-3 (1,4,5,6,7,8-hexahydro-Cyclohepta[b]pyrrole) Related Products
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