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| Name |
(2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide |
EINECS | N/A |
| CAS No. | 66902-66-7 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H33N2O•Br | Boiling Point | °Cat760mmHg |
| Molecular Weight | 409.47 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Br−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
(2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide Chemical Properties
Molecular Structure of (2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide (CAS NO. 66902-66-7):
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IUPAC Name: 2-(3-Acetyl-2-methylindolizin-1-yl)propyl-dimethyl-pentylazanium bromide
Molecular Formula: C21H33BrN2O
Molecular Weight: 409.403520 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CCCCC[N+](C)(C)CC(C)C1=C2C=CC=CN2C(=C1C)C(=O)C.[Br-]
InChI: InChI=1S/C21H33N2O.BrH/c1-7-8-11-14-23(5,6)15-16(2)20-17(3)21(18(4)24)22-13-10-9-12-19(20)22;/h9-10,12-13,16H,7-8,11,14-15H2,1-6H3;1H/q+1;/p-1
InChIKey: NIHDBMSFISHLLC-UHFFFAOYSA-M
Polar Surface Area of (2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide (CAS NO. 66902-66-7): 21.48 Å2
(2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide Toxicity Data With Reference
| 1. | orl-mus LD50:840 mg/kg | JMCMAR Journal of Medicinal Chemistry. 6 (1963),361. |
(2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Br−.
(2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide Specification
(2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide with cas registry number of 66902-66-7 is also called for Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentyl-, bromide .
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