Cas no 61772-92-7 (Pyrrolidine, 2-butyl-5-heptyl-)
61772-92-7 structure
Product Name:Pyrrolidine, 2-butyl-5-heptyl-
CAS No:61772-92-7
MF:C15H31N
MW:225.413344621658
CID:466672
PubChem ID:581131
Update Time:2025-04-19
Pyrrolidine, 2-butyl-5-heptyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrrolidine, 2-butyl-5-heptyl-
- 2-butyl-5-heptylpyrrolidine
- DTXSID30342369
- 61772-92-7
- FIXZYWKWWCBXRZ-UHFFFAOYSA-N
- SCHEMBL8818981
-
- Inchi： 1S/C15H31N/c1-3-5-7-8-9-11-15-13-12-14(16-15)10-6-4-2/h14-16H,3-13H2,1-2H3
- InChI Key： FIXZYWKWWCBXRZ-UHFFFAOYSA-N
- SMILES： N1C(CCCC)CCC1CCCCCCC
Computed Properties
- Exact Mass: 225.24583
- Monoisotopic Mass: 225.245649993g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 156
- 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: 5.6
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
Pyrrolidine, 2-butyl-5-heptyl- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
61772-92-7 (Pyrrolidine, 2-butyl-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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