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110999-36-5

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

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  • 3-(AMINOCARBONYL)-1,4-DIMETHYLPYRIDINIUM CHLORIDE  CAS NO.110999-36-5

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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