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2-[4-(1,1-Dimethylethyl)phenoxy]acetonitrile

2-[4-(1,1-Dimethylethyl)phenoxy]acetonitrile structure

CAS No:
50635-24-0
Formula:
C12H15NO
Chemical Name:
2-[4-(1,1-Dimethylethyl)phenoxy]acetonitrile
Synonyms:
Acetonitrile,2-[4-(1,1-dimethylethyl)phenoxy]-;Acetonitrile,[4-(1,1-dimethylethyl)phenoxy]-;Acetonitrile,(p-tert-butylphenoxy)-;2-[4-(1,1-Dimethylethyl)phenoxy]acetonitrile;4-tert-Butylphenoxyacetonitrile;2-(4-(tert-Butyl)phenoxy)acetonitrile;2-(4-tert-Butylphenoxy)acetonitrile

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2-[4-(1,1-Dimethylethyl)phenoxy]acetonitrile Basic Attributes

Molecular Weight：

189.25400

Exact Mass：

189.25

DSSTox ID：

DTXSID70505395

HScode：

2926909090

Characteristics

PSA：

33.02000

XLogP3：

2.88648

Density：

0.995g/cm3

Melting Point：

67-70ºC

Boiling Point：

296.6ºC

Flash Point：

124.9ºC

Refractive Index：

1.499

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3276

Computed Properties

Molecular Weight:189.25
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:189.115364102
Monoisotopic Mass:189.115364102
Topological Polar Surface Area:33
Heavy Atom Count:14
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-(1,1-Dimethylethyl)phenoxy]acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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