Cas no 120394-64-1 (1H-Pyrrole, 3-dodecyl-)
1H-Pyrrole, 3-dodecyl- structure
Product Name:1H-Pyrrole, 3-dodecyl-
CAS No:120394-64-1
MF:C16H29N
MW:235.408164739609
CID:1210391
PubChem ID:22311735
Update Time:2025-04-20
1H-Pyrrole, 3-dodecyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 3-dodecyl-
- 3-dodecyl-1H-pyrrole
- DTXSID40624628
- 120394-64-1
- SCHEMBL147400
-
- Inchi： 1S/C16H29N/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h13-15,17H,2-12H2,1H3
- InChI Key： HGICMYITGGLHHY-UHFFFAOYSA-N
- SMILES： N1C=CC(=C1)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 235.229999929g/mol
- Monoisotopic Mass: 235.229999929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 156
- 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: 6.9
- Topological Polar Surface Area: 15.8?2
1H-Pyrrole, 3-dodecyl- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
120394-64-1 (1H-Pyrrole, 3-dodecyl-) Related Products
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