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4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile

4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile structure

CAS No:
74800-62-7
Formula:
C16H21NO2
Chemical Name:
4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile
Synonyms:
Benzonitrile,4-(5-pentyl-1,3-dioxan-2-yl)-;4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile;2-(4-Cyanophenyl)-5-n-pentyl-1,3-dioxane

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4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile Basic Attributes

Molecular Weight：

259.34300

Exact Mass：

259.34

EC Number：

278-001-2

DSSTox ID：

DTXSID40225775

HScode：

2932999099

Characteristics

PSA：

42.25000

XLogP3：

3.80018

Density：

1.07g/cm3

Melting Point：

56-58ºC

Boiling Point：

393ºC at 760 mmHg

Flash Point：

134.9ºC

Refractive Index：

1.526

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3276

hazard class code：

R20/21/22

safety instructions：

S22; S36/37/39

Computed Properties

Molecular Weight:259.34
XLogP3:3.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:259.157228913
Monoisotopic Mass:259.157228913
Topological Polar Surface Area:42.2
Heavy Atom Count:19
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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