| CAS Number | 1228450-21-2 |
| Catalog Number | AG00HH1C(AGN-PC-0WQVMA) |
| Chemical Name | tert-Butyl 4-methyl-5-oxoazepane-1-carboxylate |
| IUPAC Name | tert-butyl 4-methyl-5-oxoazepane-1-carboxylate |
| InChI | InChI=1S/C12H21NO3/c1-9-5-7-13(8-6-10(9)14)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3 |
| InChI Key | FPTMDKGETGTSCG-UHFFFAOYSA-N |
| MDL Number | MFCD27997497 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | CC1C(=O)CCN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | tert-butyl 4-methyl-5-oxoazepane-1-carboxylate,
1228450-21-2,
SCHEMBL2378527,
4-methyl-5-oxo-azepane-1-carboxylic acid tert-butyl ester,
FPTMDKGETGTSCG-UHFFFAOYSA-N,
AKOS027255496,
CS-0047358,
Z2028236343,
racemic 4-methyl-5-oxo-azepane-1-carboxylic acid tert-butyl ester,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.3g/mol |
| Monoisotopic Mass | 227.152144g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number