| CAS Number | 790206-40-5 |
| Catalog Number | AG01A7T5(AGN-PC-00M76P) |
| Chemical Name | 2-([2,6-Bis(propan-2-yl)phenyl]amino)ethan-1-ol |
| IUPAC Name | 2-[2,6-di(propan-2-yl)anilino]ethanol |
| InChI | InChI=1S/C14H23NO/c1-10(2)12-6-5-7-13(11(3)4)14(12)15-8-9-16/h5-7,10-11,15-16H,8-9H2,1-4H3 |
| InChI Key | UMAZPYIDZHFJSU-UHFFFAOYSA-N |
| MDL Number | MFCD14705814 |
| Molecular Formula | C14H23NO |
| Molecular Weight | 221.3385 |
| SMILES | CC(C1=C(NCCO)C(C(C)C)=CC=C1)C |
| Synonyms | 2-{[2,6-bis(propan-2-yl)phenyl]amino}ethan-1-ol,
790206-40-5,
AC1Q1OUH,
CTK8A5244,
2-(2,6-Diisopropylanilino)ethanol,
ZINC39947625,
AKOS034748224,
MCULE-4210036220,
NE21901,
EN300-59736,
Z969559736,
2-([2,6-bis(propan-2-yl)phenyl]amino)ethan-1-ol,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.344g/mol |
| Monoisotopic Mass | 221.178g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number