| CAS Number | 191871-32-6 |
| Catalog Number | AG00BB7Z(AGN-PC-0QKUP7) |
| Chemical Name | Methyl 2-[4-(([(tert-butoxy)carbonyl]amino)methyl)phenyl]acetate |
| IUPAC Name | methyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate |
| InChI | InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16-10-12-7-5-11(6-8-12)9-13(17)19-4/h5-8H,9-10H2,1-4H3,(H,16,18) |
| InChI Key | UWXLXTJZZNBYOV-UHFFFAOYSA-N |
| MDL Number | MFCD09953088 |
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.3315 |
| SMILES | COC(=O)Cc1ccc(cc1)CNC(=O)OC(C)(C)C |
| Synonyms | 191871-32-6,
TERT-BUTYL 4-((METHOXYCARBONYL)METHYL)BENZYLCARBAMATE,
Methyl 2-(4-(((tert-butoxycarbonyl)amino)methyl)phenyl)acetate,
Methyl 2-[4-(([(tert-butoxy)carbonyl]amino)methyl)phenyl]acetate,
methyl 4-(N-BOC-aminomethyl)phenylacetate,
SCHEMBL5209897,
CTK8H4299,
DTXSID80625316,
UWXLXTJZZNBYOV-UHFFFAOYSA-N,
MFCD09953088,
ZINC97756918,
AKOS027252524,
methyl 4-(tert-butoxycarbonylaminomethyl)phenylacetate,
Methyl (4-{[(tert-butoxycarbonyl)amino]methyl}phenyl)acetate,
tert-Butyl 4-((methoxycarbonyl)methyl)benzylcarbama te,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.336g/mol |
| Monoisotopic Mass | 279.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number