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

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

CAS No:
91480-88-5
Formula:
C15H18N2O2
Chemical Name:
1-[4-amino-5-(4-methoxy-3-methyl-phenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Synonyms:
Ketone, (4-amino-5-(4-methoxy-m-tolyl)-2-methylpyrrol-3-yl) methyl;1-[4-amino-5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone;ETHANONE, 1-(4-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-2-METHYL-1H-PYRROL-3-YL)-;1-(4-Amino-5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl)ethanone;CTK3I9558;DTXSID20238580;ZINC2013770;LS-67127;1-(4-AMINO-5-(4-METHOXY-3-METHYLPHENYL) 2-METHYL-1H-PYRROL-3-YL)ETHANONE;1-[4-amino-5-(4-methoxy-3-methyl-phenyl)-2-methyl-1H-pyrrol-3-yl]ethan one

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

Molecular Weight：

258.32

Exact Mass：

258.136828

DSSTox ID：

DTXSID20238580

Characteristics

PSA：

68.1

XLogP3：

3.67310

Density：

1.0823 (rough estimate)

Boiling Point：

441.5ºC at 760mmHg

Flash Point：

220.8ºC

Refractive Index：

1.594

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:258.32
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:258.136827821
Monoisotopic Mass:258.136827821
Topological Polar Surface Area:68.1
Heavy Atom Count:19
Complexity:334
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

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

SDS

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