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2-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZYL]MALONONITRILE

2-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZYL]MALONONITRILE structure

CAS No:
771552-11-5
Formula:
C16H15N3
Chemical Name:
2-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZYL]MALONONITRILE
Synonyms:
RARECHEM AL BY 1035;2-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZYL]MALONONITRILE;Propanedinitrile, 2-[[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methyl]-

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2-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZYL]MALONONITRILE Basic Attributes

Molecular Weight：

249.31

Exact Mass：

249.126597491

DSSTox ID：

DTXSID20377347

HScode：

2933990090

Characteristics

PSA：

52.51000

XLogP3：

3.29996

Density：

1.05±0.1 g/cm3

Melting Point：

121-124°C

Boiling Point：

464.0±45.0 °C(Predicted)

PKA：

-3.01±0.70

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:249.31
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:249.126597491
Monoisotopic Mass:249.126597491
Topological Polar Surface Area:52.5
Heavy Atom Count:19
Complexity:365
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZYL]MALONONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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