| CAS Number | 228110-66-5 |
| Catalog Number | AG006WGO(AGN-PC-0BY72X) |
| Chemical Name | ETHYL 4-(TERT-BUTOXYCARBONYLAMINO) BUTANOATE |
| IUPAC Name | ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
| InChI | InChI=1S/C11H21NO4/c1-5-15-9(13)7-6-8-12-10(14)16-11(2,3)4/h5-8H2,1-4H3,(H,12,14) |
| InChI Key | WZCBJEPDZSZUAF-UHFFFAOYSA-N |
| MDL Number | MFCD20039844 |
| Molecular Formula | C11H21NO4 |
| Molecular Weight | 231.2887 |
| SMILES | CCOC(=O)CCCNC(=O)OC(C)(C)C |
| Synonyms | 228110-66-5,
Ethyl 4-((tert-butoxycarbonyl)amino)butanoate,
Ethyl 4-(tert-butoxycarbonylamino) butanoate,
Ethyl 4-[(tert-butoxycarbonyl)amino]butanoate,
Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester,
SCHEMBL572949,
CTK0I8255,
DTXSID70728042,
WZCBJEPDZSZUAF-UHFFFAOYSA-N,
MFCD20039844,
ZINC70225611,
AKOS008510273,
ethyl 4-(tert-butoxycarbonylamino)butanoate,
4-(tert-Butoxycarbonylamino)butyric acid ethyl ester,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.292g/mol |
| Monoisotopic Mass | 231.147g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number