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2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetonitrile

2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetonitrile structure

CAS No:
42780-50-7
Formula:
C15H16N2
Chemical Name:
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetonitrile
Synonyms:
HMS1735D03; 2,4-DIMETHYL-1-NITROSO-1,2,3,4-TETRAHYDROQUINOXALINE;

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2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetonitrile Basic Attributes

Molecular Weight：

224.30100

Exact Mass：

224.131348519

DSSTox ID：

DTXSID40407190

HScode：

2933990090

Characteristics

PSA：

28.72000

XLogP3：

3.46858

Density：

1.01g/cm3

Boiling Point：

385.2ºC at 760mmHg

Flash Point：

186.7ºC

Refractive Index：

1.56

Computed Properties

Molecular Weight:224.30
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:224.131348519
Monoisotopic Mass:224.131348519
Topological Polar Surface Area:28.7
Heavy Atom Count:17
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetonitrile

Basic Attributes
Characteristics
Computed Properties

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