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Structure

Benzonitrile,4-(trans-4-butylcyclohexyl)-

CAS
61204-00-0
Catalog Number
ACM61204000
Category
Other Products
Molecular Weight
241.37
Molecular Formula
C17H23N

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Specification

Synonyms
4-(trans-4-Butylcyclohexyl)benzonitrile
IUPAC Name
4-(4-butylcyclohexyl)benzonitrile
Canonical SMILES
CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3
InChI Key
YYAVXASAKUOZJJ-UHFFFAOYSA-N
Boiling Point
366.6±21.0 ºC
Melting Point
41-45 ºC
Flash Point
176.4ºC
Density
0.98±0.1 g/ml
EC Number
262-655-0
Exact Mass
241.18300
H-Bond Acceptor
1
H-Bond Donor
0
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