| CAS Number | 88510-89-8 |
| Catalog Number | AG003AES(AGN-PC-0VM0SD) |
| Chemical Name | 4,4'-dipentyl-[1,1'-bi(cyclohexane)]-4-carbonitrile |
| IUPAC Name | 1-pentyl-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile |
| InChI | InChI=1S/C23H41N/c1-3-5-7-9-20-10-12-21(13-11-20)22-14-17-23(19-24,18-15-22)16-8-6-4-2/h20-22H,3-18H2,1-2H3 |
| InChI Key | HFBISKRSUBYSCV-UHFFFAOYSA-N |
| MDL Number | MFCD31692181 |
| Molecular Formula | C23H41N |
| Molecular Weight | 331.5783 |
| SMILES | N#C[C@]1(CCCCC)CC[C@H]([C@@H]2CCC(CCCCC)CC2)CC1 |
| Synonyms | 88510-89-8,
[1,1'-Bicyclohexyl]-4-carbonitrile,4,4'-dipentyl-, (cis,trans)-,
SCHEMBL6893660,
SCHEMBL9649036,
4,4'-dipentyl-bicyclohexyl-4-carbonitrile,
4,4'-Dipentyl-1,1'-bicyclohexane-4-carbonitrile,
4,4'beta-Dipentyl-1alpha,1'alpha-bicyclohexane-4beta-carbonitrile,
trans,trans-4,4'-Dipentyl-[1,1'-bicyclohexyl]-4-carbonitrile,
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| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.324g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.588g/mol |
| Monoisotopic Mass | 331.324g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number