Cas no 83688-87-3 (2H-Pyrrole, 2-butyl-5-heptyl-3,4-dihydro-)
83688-87-3 structure
Product Name:2H-Pyrrole, 2-butyl-5-heptyl-3,4-dihydro-
CAS No:83688-87-3
MF:C15H29N
MW:223.397464513779
CID:668701
PubChem ID:13944024
Update Time:2025-04-19
2H-Pyrrole, 2-butyl-5-heptyl-3,4-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrole, 2-butyl-5-heptyl-3,4-dihydro-
- 2-butyl-5-heptyl-3,4-dihydro-2H-pyrrole
- 2-butyl-5-heptyl-5-pyrroline
- 83688-87-3
- DTXSID30552986
-
- Inchi： 1S/C15H29N/c1-3-5-7-8-9-11-15-13-12-14(16-15)10-6-4-2/h14H,3-13H2,1-2H3
- InChI Key： JGCDFPFJPDWLGQ-UHFFFAOYSA-N
- SMILES： N1=C(CCCCCCC)CCC1CCCC
Computed Properties
- Exact Mass: 223.229999929g/mol
- Monoisotopic Mass: 223.229999929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 196
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 12.4?2
2H-Pyrrole, 2-butyl-5-heptyl-3,4-dihydro- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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