Cas no 87004-02-2 (Pyridine 1)
Pyridine 1 structure
Product Name:Pyridine 1
CAS No:87004-02-2
MF:C19H23ClN2O4
MW:378.849924325943
CID:722445
PubChem ID:21932318
Update Time:2025-04-19
Pyridine 1 Chemical and Physical Properties
Names and Identifiers
-
- Pyridine 1
- 1-ETHYL-2-[4-(4-DIMETHYLAMINOPHENYL)-1,3-BUTADIEN-1-YL]PYRIDINIUM PERCHLORATE
- 4-[(1E,3E)-4-(1-ethylpyridin-1-ium-4-yl)buta-1,3-dienyl]-N,N-dimethylaniline
- NULL
- 1-Ethyl-2-[-4-(4-dimethylaminophenyl)-1,3-butadien)-1-yl]pyridinium perchloroate
- 87004-02-2
- 2-((1E,3E)-4-(4-(dimethylamino)phenyl)buta-1,3-dienyl)-1-ethylpyridinium perchlorate
- LDS 698
- 2-{4-[4-(Dimethylamino)phenyl]-1,3-butadienyl}-1-ethylpyridinium perchlorate
- 2-(4-(4-(DIMETHYLAMINO)PHENYL)-1,3-BUTADIENYL)-1-ETHYLPYRIDINIUM PERCHLORATE
-
- Inchi： 1S/C19H23N2.ClO4/c1-4-21-16-8-7-11-19(21)10-6-5-9-17-12-14-18(15-13-17)20(2)3;2-1(3,4)5/h5-16H,4H2,1-3H3;/q+1;-1
- InChI Key： RJYAHCRGAZVLJE-UHFFFAOYSA-N
- SMILES： [Cl+3]([O-])([O-])([O-])[O-].[N+]1(C=CC=CC=1/C=C/C=C/C1C=CC(=CC=1)N(C)C)CC
Computed Properties
- Exact Mass: 378.13500
- Monoisotopic Mass: 378.1346349g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 433
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 81.4?2
Experimental Properties
- PSA: 81.39000
- LogP: 4.00090
Pyridine 1 Security Information
- Hazard Category Code： 36/37/38-20/21/22
- Safety Instruction： 36/37/39-26
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
Pyridine 1 Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
87004-02-2 (Pyridine 1) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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