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