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1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone

1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone structure

CAS No:
91480-90-9
Formula:
C15H18N2O3
Chemical Name:
1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Synonyms:
1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone;1-(4-Amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl)ethanone;ETHANONE, 1-(4-AMINO-5-(3,4-DIMETHOXYPHENYL)-2-METHYL-1H-PYRROL-3-YL)-;Ketone, (4-amino-5-(3,4-dimethoxyphenyl)-2-methylpyrrol-3-yl) methyl;CTK5G9697;DTXSID40238582;ZINC2013766;LS-67116;1-(4-Amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl)ethan-1-one

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1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone Basic Attributes

Molecular Weight：

274.31

Exact Mass：

274.131742

DSSTox ID：

DTXSID40238582

Characteristics

PSA：

77.3

XLogP3：

3.37330

Density：

1.1230 (rough estimate)

Boiling Point：

454.7ºC at 760mmHg

Flash Point：

228.8ºC

Refractive Index：

1.587

Toxicity：

Oral-Mouse LD50: 1000 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Storage features：

Warehouse ventilated, low temperature and dry

Toxicity

Toxicity class：

moderately toxic

Computed Properties

Molecular Weight:274.31
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:274.13174244
Monoisotopic Mass:274.13174244
Topological Polar Surface Area:77.3
Heavy Atom Count:20
Complexity:350
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone

SDS

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