| CAS Number | 1282582-89-1 |
| Catalog Number | AG019EMO(AGN-PC-0WG456) |
| Chemical Name | 4,4'-((2-Cyclopropyl-1,4-phenylene)bis(ethyne-2,1-diyl))bis(butylbenzene) |
| IUPAC Name | 1,4-bis[2-(4-butylphenyl)ethynyl]-2-cyclopropylbenzene |
| InChI | InChI=1S/C33H34/c1-3-5-7-26-9-13-28(14-10-26)17-18-30-20-22-31(33(25-30)32-23-24-32)21-19-29-15-11-27(12-16-29)8-6-4-2/h9-16,20,22,25,32H,3-8,23-24H2,1-2H3 |
| InChI Key | DVPXPRGFSDFHFO-UHFFFAOYSA-N |
| MDL Number | MFCD28991980 |
| Molecular Formula | C33H34 |
| Molecular Weight | 430.6231 |
| SMILES | CCCCc1ccc(cc1)C#Cc1ccc(c(c1)C1CC1)C#Cc1ccc(cc1)CCCC |
| Synonyms | 1282582-89-1,
4,4'-((2-Cyclopropyl-1,4-phenylene)bis(ethyne-2,1-diyl))bis(butylbenzene),
1,4-bis[2-(4-butylphenyl)ethynyl]-2-cyclopropylbenzene,
1,4-Bis(2-(4-butylphenyl)ethynyl)-2-cyclopropylbenzene,
DVPXPRGFSDFHFO-UHFFFAOYSA-N,
MFCD28991980,
ZINC218882762,
CS-0036950,
|
| Complexity | 698 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.266g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.635g/mol |
| Monoisotopic Mass | 430.266g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 10.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number