| CAS Number | 119906-49-9 |
| Catalog Number | AG008T6E(AGN-PC-0PDZI4) |
| Chemical Name | (S)-1-Z-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE |
| IUPAC Name | benzyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate |
| InChI | InChI=1S/C16H22N2O3/c1-16(2,3)14-17(4)13(19)10-18(14)15(20)21-11-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3/t14-/m0/s1 |
| InChI Key | TZEQABAXFGVJED-AWEZNQCLSA-N |
| MDL Number | MFCD00075098 |
| Molecular Formula | C16H22N2O3 |
| Molecular Weight | 290.3575 |
| SMILES | C(C)(C)(C)[C@@H]1N(CC(N1C)=O)C(=O)OCC1=CC=CC=C1 |
| Synonyms | 119906-49-9,
(S)-1-Z-2-tert-Butyl-3-methyl-4-imidazolidinone,
(S)-Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate,
benzyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate,
AC1LELEI,
ZINC56728,
DTXSID00350799,
MFCD00075098,
(S)-(-)-1-(Benzyloxycarbonyl)-2-tert-butyl-3-methyl-4-imidazolidinone,
AKOS022180141,
AJ-09399,
AK-55448,
AS-40723,
CS-0084880,
FT-0774324,
K-1411,
J-004217,
(S)-1-Z-2-tert-Butyl-3-methyl-4-imidazolidinone, 98%,
CID688130,
ZINC00056728,
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| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.363g/mol |
| Monoisotopic Mass | 290.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number