| CAS Number | 1202208-36-3 |
| Catalog Number | AG008SRF(AGN-PC-050JYK) |
| Chemical Name | CAY10614 |
| IUPAC Name | cyclopentyl-[[3,4-di(tetradecoxy)phenyl]methyl]-dimethylazanium;iodide |
| InChI | InChI=1S/C42H78NO2.HI/c1-5-7-9-11-13-15-17-19-21-23-25-29-35-44-41-34-33-39(38-43(3,4)40-31-27-28-32-40)37-42(41)45-36-30-26-24-22-20-18-16-14-12-10-8-6-2;/h33-34,37,40H,5-32,35-36,38H2,1-4H3;1H/q+1;/p-1 |
| InChI Key | UXOPVNPWTUWUEA-UHFFFAOYSA-M |
| MDL Number | MFCD18382116 |
| Molecular Formula | C42H78INO2 |
| Molecular Weight | 755.9787 |
| SMILES | CCCCCCCCCCCCCCOC1=CC=C(C[N+](C)(C)C2CCCC2)C=C1OCCCCCCCCCCCCCC.[I-] |
| Synonyms | 1202208-36-3,
N-cyclopentyl-N,N-dimethyl-3,4-bis(tetradecyloxy)-benzenemethanaminium, iodide,
SCHEMBL669749,
CHEMBL540143,
C42H78NO2.I,
CTK8E6146,
DTXSID60649373,
CAY10614,
1922AH,
RT-024939,
J-004280,
N-{[3,4-BIS(TETRADECYLOXY)PHENYL]METHYL}-N,N-DIMETHYLCYCLOPENTANAMINIUM IODIDE,
UXOPVNPWTUWUEA-UHFFFAOYSA-M,
cyclopentyl-[[3,4-di(tetradecoxy)phenyl]methyl]-dimethylazan,
|
| Complexity | 630 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 755.508g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 755.995g/mol |
| Monoisotopic Mass | 755.508g/mol |
| Rotatable Bond Count | 31 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number