Cas no 71732-80-4 ((2R,5R)-2-butyl-5-heptylpyrrolidine)
71732-80-4 structure
Product Name:(2R,5R)-2-butyl-5-heptylpyrrolidine
CAS No:71732-80-4
MF:C15H31N
MW:225.413344621658
CID:1751226
PubChem ID:156256
Update Time:2025-04-21
(2R,5R)-2-butyl-5-heptylpyrrolidine Chemical and Physical Properties
Names and Identifiers
-
- (2R,5R)-2-butyl-5-heptylpyrrolidine
- Pyrrolidine, 2-butyl-5-heptyl-, (2R,5R)-rel-
- 71732-80-4
- DTXSID40221954
- CHEBI:199639
- (2r-trans)-2-butyl-5-heptylpyrrolidine
- SCHEMBL3118701
- (2r,5r)-trans-5-butyl-2-heptylpyrrolidine
-
- 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/t14-,15-/m1/s1
- InChI Key： FIXZYWKWWCBXRZ-HUUCEWRRSA-N
- SMILES： N1[C@H](CCCC)CC[C@H]1CCCCCCC
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: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
(2R,5R)-2-butyl-5-heptylpyrrolidine Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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