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1-[4-Amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethanone

1-[4-Amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethanone structure

CAS No:
56463-76-4
Formula:
C14H16N2O
Chemical Name:
1-[4-Amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethanone
Synonyms:
1-[4-amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethanone;ETHANONE, 1-(4-AMINO-2-METHYL-5-(2-METHYLPHENYL)-1H-PYRROL-3-YL)-;1-(4-Amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl)ethanone;BRN 0478366;Ketone, (4-amino-2-methyl-5-(o-tolyl)pyrrol-3-yl) methyl;SCHEMBL11452602;DTXSID80205016;4-Acetyl-3-amino-2-(o-tolyl)-5-methylpyrrole;4-acetyl-3-amino-5-methyl-2-(o-tolyl)-pyrrole

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1-[4-Amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethanone Basic Attributes

Molecular Weight：

228.295

Exact Mass：

228.126

DSSTox ID：

DTXSID80205016

Characteristics

PSA：

58.9

XLogP3：

2.7

Density：

1.0604 (rough estimate)

Boiling Point：

404.4ºC at 760 mmHg

Flash Point：

198.4ºC

Refractive Index：

1.61

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:228.29
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:228.126263138
Monoisotopic Mass:228.126263138
Topological Polar Surface Area:58.9
Heavy Atom Count:17
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-Amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethanone

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

1-[4-Amino-2-methyl-5-(2-methylphenyl)-1H-pyrrol-3-yl]ethanone

SDS

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