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4-(1-Methylethyl)cyclohexaneacetonitrile

4-(1-Methylethyl)cyclohexaneacetonitrile structure

CAS No:
62221-15-2
Formula:
C11H19N
Chemical Name:
4-(1-Methylethyl)cyclohexaneacetonitrile
Synonyms:
Cyclohexaneacetonitrile,4-(1-methylethyl)-;4-(1-Methylethyl)cyclohexaneacetonitrile;2-(4-Isopropylcyclohexyl)acetonitrile;2-[4-(Propan-2-yl)cyclohexyl]acetonitrile

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4-(1-Methylethyl)cyclohexaneacetonitrile Basic Attributes

Molecular Weight：

165.27500

Exact Mass：

165.28

EC Number：

263-465-0

DSSTox ID：

DTXSID80211278

Characteristics

PSA：

23.79000

XLogP3：

3.36248

Density：

0.872g/cm3

Boiling Point：

262.5ºC at 760 mmHg

Flash Point：

118.2ºC

Refractive Index：

1.448

Computed Properties

Molecular Weight:165.27
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:165.151749610
Monoisotopic Mass:165.151749610
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1-Methylethyl)cyclohexaneacetonitrile

Basic Attributes
Characteristics
Computed Properties

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