1-CYANOCYCLOHEXANEACETONITRILE
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1-CYANOCYCLOHEXANEACETONITRILE
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CAS No:
4172-99-0
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Formula:
C9H12N2
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Chemical Name:
1-CYANOCYCLOHEXANEACETONITRILE
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Synonyms:
GabapentinRelatedCompoundB;GabapentinDi-NitrileIMpurity;GabapentinRelatedBis-nitrile;1-CYANOCYCLOHEXANEACETONITRILE;1-Cyanomethyl-1-cyclohexanenitril;1-Cyanomethyl-1-cyclohexanenitrile;1-(CyanoMethyl)cyclohexanecarbonitrile
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CAS No:
Characteristics
47.58000
2.37416
White to Off-White Solid
1.009g/cm3
84-86ºC
319.74ºC at 760 mmHg
154.27ºC
1.478
-20ºC Freezer
Computed Properties
Molecular Weight:148.20
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:148.100048391
Monoisotopic Mass:148.100048391
Topological Polar Surface Area:47.6
Heavy Atom Count:11
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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