Cas no 61772-96-1 (Pyrrolidine, 2-ethyl-5-heptyl-)
61772-96-1 structure
Product Name:Pyrrolidine, 2-ethyl-5-heptyl-
CAS No:61772-96-1
MF:C13H27N
MW:197.360183954239
CID:466668
PubChem ID:12289853
Update Time:2025-04-19
Pyrrolidine, 2-ethyl-5-heptyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrrolidine, 2-ethyl-5-heptyl-
- 2-ethyl-5-heptylpyrrolidine
- DTXSID80484829
- 2-ethyl-5-heptyl-pyrrolidine
- 61772-96-1
-
- Inchi： 1S/C13H27N/c1-3-5-6-7-8-9-13-11-10-12(4-2)14-13/h12-14H,3-11H2,1-2H3
- InChI Key： FDMPRHCJRYHIBI-UHFFFAOYSA-N
- SMILES： N1C(CC)CCC1CCCCCCC
Computed Properties
- Exact Mass: 197.21451
- Monoisotopic Mass: 197.214349865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 133
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
Pyrrolidine, 2-ethyl-5-heptyl- Related Literature
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
61772-96-1 (Pyrrolidine, 2-ethyl-5-heptyl-) Related Products
- 765-38-8(2-Methylpyrrolidine)
- 41720-98-3((2R)-2-methylpyrrolidine)
- 59335-84-1((2S)-2-methylpyrrolidine)
- 279-40-3(7-Azabicyclo[2.2.1]heptane)
- 280-05-7(8-Azabicyclo[3.2.1]octane)
- 124602-03-5(2-(2-methylpropyl)pyrrolidine)
- 1003-28-7(2-ethylpyrrolidine)
- 3378-71-0(2,5-dimethylpyrrolidine)
- 13748-14-6(2-Propylazepane)
- 1121-44-4(2-Propylpyrrolidine)
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