Cyclohexanecarboxylicacid, 4-propyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester, trans- supplier

Name
4-Cyanobiphenyl-4'-Trans-Propylcyclohexylcarboxylate
EINECS
CAS No. 67284-57-5
Density 1.12
Solubility
Melting Point
Formula C₂₃H₂₄NO₂
Boiling Point 537.213 °C at 760 mmHg
Molecular Weight 346.44
Flash Point 278.697 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4'-cyanobiphenyl-4-yl-4-trans-propylcyclohexanecarboxylate;1-[4-(4-cyanophenyl)phenyl]-4-propyl-cyclohexanecarboxylate;
PSA 50.09000
LogP 5.73718

Cyclohexanecarboxylicacid, 4-propyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester, trans- Specification

The Cyclohexanecarboxylicacid, 4-propyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester, trans-, with the CAS registry number 67284-57-5, is also known as 4'-cyanobiphenyl-4-yl-4-trans-propylcyclohexanecarboxylate. This chemical's molecular formula is C₂₃H₂₄NO₂ and formula weight is 346.44. What's more, its systematic name is 1-[4-(4-cyanophenyl)phenyl]-4-propyl-cyclohexanecarboxylate.

Physical properties of Cyclohexanecarboxylicacid, 4-propyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester, trans- are: (1)ACD/LogP: 5.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.102; (4)ACD/LogD (pH 7.4): 3.308; (5)ACD/BCF (pH 5.5): 2870.805; (6)ACD/BCF (pH 7.4): 46.127; (7)ACD/KOC (pH 5.5): 6199.46; (8)ACD/KOC (pH 7.4): 99.612; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.92 Å²; (13)Flash Point: 278.697 °C; (14)Enthalpy of Vaporization: 85.683 kJ/mol; (15)Boiling Point: 537.213 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC[C@H]1CC[C@](CC1)(C(=O)[O-])c2ccc(cc2)c3ccc(cc3)C#N
(2)InChI: InChI=1S/C23H25NO2/c1-2-3-17-12-14-23(15-13-17,22(25)26)21-10-8-20(9-11-21)19-6-4-18(16-24)5-7-19/h4-11,17H,2-3,12-15H2,1H3,(H,25,26)/p-1/t17-,23+
(3)InChIKey: SQVKWTANBHVCDP-LBEPJEHYSA-M

Product Name

4-Cyanobiphenyl-4'-Trans-Propylcyclohexylcarboxylate

Cyclohexanecarboxylicacid, 4-propyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester, trans- Specification

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