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66902-66-7

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Basic Information
CAS No.: 66902-66-7
Name: N-[2-(3-acetyl-2-methylindolizin-1-yl)propyl]-N,N-dimethylpentan-1-aminium bromide
Molecular Structure:
Molecular Structure of 66902-66-7 (N-[2-(3-acetyl-2-methylindolizin-1-yl)propyl]-N,N-dimethylpentan-1-aminium bromide)
Formula: C21H33N2O•Br
Molecular Weight: 409.47
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Br−.
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  • (2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide

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    66902-66-7

    (2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide

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  • (2-(3-ACETYL-2-METHYL-1-INDOLIZINYL)-2-METHYLETHYL)DIMETHYLPENTYLAMMONIUM BROMIDECAS

  • Casno:

    66902-66-7

    (2-(3-ACETYL-2-METHYL-1-INDOLIZINYL)-2-METHYLETHYL)DIMETHYLPENTYLAMMONIUM BROMIDECAS

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    (2-(3-ACETYL-2-METHYL-1-INDOLIZINYL)-2-METHYLETHYL)DIMETHYLPENTYLAMMONIUM BROMIDECASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by expre

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Chemistry

Molecular Structure of (2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide (CAS NO. 66902-66-7):

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

Toxicity Data With Reference

1.    

orl-mus LD50:840 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 6 (1963),361.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Br−.

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 .