Cas no 110999-36-5 (3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride)
3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride is a quaternary pyridinium derivative with applications in organic synthesis and pharmaceutical research. Its structure features a carbamoyl group at the 3-position and methyl substituents at the 1- and 4-positions, contributing to its reactivity as an intermediate or building block. The compound’s quaternary ammonium moiety enhances its solubility in polar solvents, facilitating its use in aqueous or polar reaction systems. Its stability under standard conditions and well-defined molecular architecture make it suitable for controlled modifications in medicinal chemistry or material science. The chloride counterion further ensures compatibility with a range of synthetic protocols. This compound is valued for its versatility in constructing functionalized pyridinium frameworks.
110999-36-5 structure
Product Name:3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride
CAS No:110999-36-5
MF:C8H11ClN2O
MW:186.638740777969
CID:93269
PubChem ID:194879
Update Time:2025-06-07
3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride Chemical and Physical Properties
Names and Identifiers
-
- 3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride
- 3-methyl-benzoicacimethylester
- meta-Toluic acid, methyl ester
- m-Toluylic acid, methyl ester
- METHYL 3-TOLUATE
- METHYL M-TOLUATE
- METHYL-M-METHYL BENZOATE
- 3-METHYLBENZOIC ACID METHYL ESTER
- 3-(AMINOCARBONYL)-1,4-DIMETHYLPYRIDINIUM CHLORIDE
- 3-(AMINOCARBONYL)-1,4-DIMETHYL-PYRIDINIUM CHLORIDE
- 1,4-dimethyl-3-carbamoylpyridinium
- 1,4-diMethylpyridiniuM chloride
- 1,4-Dcpc
- 1,4-Dimethyl-3-carbamoylpyridiniumchlorid
- 3-Carbamoyl-1,4-dimethylpyridin-1-iumchloride
- (5-P-TOLYLAMINO-[1,3,4]THIADIAZOL-2-YLSULFANYL)-ACETICACIDHYDRAZIDE
- 1,4-Dimethyl-3-carbamoylpyridinium chloride
- 110999-36-5
- 1,4-dimethylpyridin-1-ium-3-carboxamide;chloride
- FT-0613710
-
- MDL： MFCD03411734
- Inchi： 1S/C8H10N2O.ClH/c1-6-3-4-10(2)5-7(6)8(9)11;/h3-5H,1-2H3,(H-,9,11);1H
- InChI Key： DFKMKEGJTOGPAX-UHFFFAOYSA-N
- SMILES： [Cl-].O=C(C1C=[N+](C)C=CC=1C)N
Computed Properties
- Exact Mass: 186.05600
- Monoisotopic Mass: 150.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 143
- 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: 2.8
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 1.063
- Boiling Point: 95 oC (15 mmHg)
- Flash Point: 95 oC
- Refractive Index: 1.515-1.517
- PSA: 46.97000
- LogP: -2.37730
3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride Security Information
- Safety Instruction： S26-S37/39
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride Customs Data
- HS CODE：2933399090
- Customs Data：
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029188338-1g |
3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride |
110999-36-5 | 95% | 1g |
$403.20 | 2023-09-04 | |
| Chemenu | CM174856-1g |
3-carbamoyl-1,4-dimethylpyridin-1-ium chloride |
110999-36-5 | 95% | 1g |
$445 | 2021-08-05 | |
| Chemenu | CM174856-1g |
3-carbamoyl-1,4-dimethylpyridin-1-ium chloride |
110999-36-5 | 95% | 1g |
$436 | 2022-06-14 |
3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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