| CAS Number | 196599-80-1 |
| Catalog Number | AG00AKMJ(AGN-PC-0N798V) |
| Chemical Name | 1,2-Bis(4-methoxyphenyl)-2-oxoethyl cyclohexylcarbamate |
| IUPAC Name | [1,2-bis(4-methoxyphenyl)-2-oxoethyl] N-cyclohexylcarbamate |
| InChI | InChI=1S/C23H27NO5/c1-27-19-12-8-16(9-13-19)21(25)22(17-10-14-20(28-2)15-11-17)29-23(26)24-18-6-4-3-5-7-18/h8-15,18,22H,3-7H2,1-2H3,(H,24,26) |
| InChI Key | MTNUOOJIYAKURM-UHFFFAOYSA-N |
| MDL Number | MFCD29472516 |
| Molecular Formula | C23H27NO5 |
| Molecular Weight | 397.4642 |
| SMILES | C1(CCCCC1)NC(OC(C(=O)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)=O |
| Synonyms | 1,2-Bis(4-methoxyphenyl)-2-oxoethyl Cyclohexylcarbamate,
196599-80-1,
SCHEMBL10276913,
MFCD29472516,
Cyclohexylcarbamic Acid 1,2-Bis(4-methoxyphenyl)-2-oxoethyl Ester,
N-Cyclohexylcarbamic acid 1,2-bis(4-methoxyphenyl)-2-oxoethyl ester,
CID10596958,
B5085,
[1,2-bis(4-methoxyphenyl)-2-oxo-ethyl] N-cyclohexylcarbamate,
|
| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 397.471g/mol |
| Monoisotopic Mass | 397.189g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number