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4-(5-pentylpyrimidin-2-yl)benzonitrile

4-(5-pentylpyrimidin-2-yl)benzonitrile structure

CAS No:
59855-05-9
Formula:
C16H17N3
Chemical Name:
4-(5-pentylpyrimidin-2-yl)benzonitrile
Synonyms:
4-(5-pentylpyrimidin-2-yl)benzonitrile;4-(5-pentyl-2-pyrimidinyl)-Benzonitrile;5-Pentyl-2-(p-cyanophenyl)pyrimidine;4-[5-Pentyl-2-pyrimidinyl]benzenecarbonitrile;Benzonitrile, 4-(5-pentyl-2-pyrimidinyl)-

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4-(5-pentylpyrimidin-2-yl)benzonitrile Basic Attributes

Molecular Weight：

251.33

Exact Mass：

251.33

EC Number：

261-959-0

TSCA：

TSCA listed

DSSTox ID：

DTXSID2069367

Characteristics

PSA：

49.6 Å²

Density：

1.10±0.1 g/cm3(Predicted)

Boiling Point：

339.6±34.0 °C(Predicted)

PKA：

0.57±0.22(Predicted)

4-(5-pentylpyrimidin-2-yl)benzonitrile Use and Manufacturing

Manufacturing Info：

Benzonitrile, 4-(5-pentyl-2-pyrimidinyl)-: ACTIVE

Computed Properties

Molecular Weight:251.33
XLogP3:4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:251.142247555
Monoisotopic Mass:251.142247555
Topological Polar Surface Area:49.6
Heavy Atom Count:19
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(5-pentylpyrimidin-2-yl)benzonitrile

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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