Pyridinium, 3-(aminocarbonyl)-1,4-dimethyl-, chloride (1:1) supplier

Name
3-(AMINOCARBONYL)-1,4-DIMETHYLPYRIDINIUM CHLORIDE
EINECS 202-753-2
CAS No. 110999-36-5
Density 1.063
Solubility
Melting Point
Formula C₈H₁₁ClN₂O
Boiling Point 95oC (15 mmHg)
Molecular Weight 186.64
Flash Point 95oC
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:;
Synonyms Pyridinium,3-(aminocarbonyl)-1,4-dimethyl-, chloride (9CI);
PSA 46.97000
LogP -2.37730

Pyridinium, 3-(aminocarbonyl)-1,4-dimethyl-, chloride (1:1) Specification

This chemical is called Pyridinium, 3-(aminocarbonyl)-1,4-dimethyl-, chloride (1:1), and its IUPAC name is 1,4-dimethylpyridin-1-ium-3-carboxamide chloride. With the molecular formula of C₈H₁₁ClN₂O, its molecular weight is 186.64. The CAS registry number of this chemical is 110999-36-5.

Other characteristics of the Pyridinium, 3-(aminocarbonyl)-1,4-dimethyl-, chloride (1:1) can be summarised as followings: (1)ACD/LogP: -1.44; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 24.19 Å²; (7)Heavy Atom Count: 12; (8)Formal Charge: 0; (9)Complexity: 158; (10)Isotope Atom Count: 0; (11)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].O=C(c1c(cc[n+](c1)C)C)N
2.InChI: InChI=1/C8H10N2O.ClH/c1-6-3-4-10(2)5-7(6)8(9)11;/h3-5H,1-2H3,(H-,9,11);1H
3.InChIKey: DFKMKEGJTOGPAX-UHFFFAOYAN

Product Name

3-(AMINOCARBONYL)-1,4-DIMETHYLPYRIDINIUM CHLORIDE

Pyridinium, 3-(aminocarbonyl)-1,4-dimethyl-, chloride (1:1) Specification

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