Cas no 312623-96-4 (Pyridinium-d5,1-(butyl-d9)-, chloride (9CI))
312623-96-4 structure
Product Name:Pyridinium-d5,1-(butyl-d9)-, chloride (9CI)
CAS No:312623-96-4
MF:C9H14ClN
MW:185.753425121307
CID:300800
PubChem ID:16213593
Update Time:2025-04-19
Pyridinium-d5,1-(butyl-d9)-, chloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pyridinium-d5,1-(butyl-d9)-, chloride (9CI)
- 2,3,4,5,6-pentadeuterio-1-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)pyridin-1-ium,chloride
- 1-(~2~H_9_)Butyl(~2~H_5_)pyridin-1-ium chloride
- 2,3,4,5,6-pentadeuterio-1-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)pyridin-1-ium;chloride
- N-Butylpyridinium chloride-d14, 98 atom % D
- DTXSID00584057
- SCHEMBL1331400
- 312623-96-4
- 1-BUTYLPYRIDINIUM-D14 CHLORIDE
-
- Inchi： 1S/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1/i1D3,2D2,3D2,4D,5D,6D,7D2,8D,9D;
- InChI Key： POKOASTYJWUQJG-CBZSTONXSA-M
- SMILES： [Cl-].[N+]1(C([2H])=C([2H])C([2H])=C([2H])C=1[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 185.1693516g/mol
- Monoisotopic Mass: 185.1693516g/mol
- Isotope Atom Count: 14
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 74.8
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.9?2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: Not determined
- Melting Point: 131-133?°C(lit.)
- Solubility: Not determined
Pyridinium-d5,1-(butyl-d9)-, chloride (9CI) Security Information
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38-21/22
- Safety Instruction： 26-36
-
Hazardous Material Identification：
Pyridinium-d5,1-(butyl-d9)-, chloride (9CI) 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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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