Cas no 75233-98-6 (5-Hexadecyl-1H-pyrrole-2-carboxaldehyde)
75233-98-6 structure
Product Name:5-Hexadecyl-1H-pyrrole-2-carboxaldehyde
CAS No:75233-98-6
MF:C21H37NO
MW:319.524586439133
CID:2003508
PubChem ID:13451138
Update Time:2025-04-21
5-Hexadecyl-1H-pyrrole-2-carboxaldehyde Chemical and Physical Properties
Names and Identifiers
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- 5-Hexadecyl-1H-pyrrole-2-carboxaldehyde
- 5-hexadecylpyrrole-2-carbaldehyde
- 5-hexadecylpyrrole-2-carboxaldehyde
- 5-n-hexadecanylpyrrole-2-carboxaldehyde
- 75233-98-6
- 5-hexadecyl-1H-pyrrole-2-carbaldehyde
- CHEMBL1076331
-
- Inchi： 1S/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(19-23)22-20/h17-19,22H,2-16H2,1H3
- InChI Key： GBHBQLGAMKIGDE-UHFFFAOYSA-N
- SMILES： O=CC1=CC=C(CCCCCCCCCCCCCCCC)N1
Computed Properties
- Exact Mass: 319.287514804g/mol
- Monoisotopic Mass: 319.287514804g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 16
- Complexity: 267
- 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: 8.7
- Topological Polar Surface Area: 32.9?2
5-Hexadecyl-1H-pyrrole-2-carboxaldehyde Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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
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