| CAS Number | 144226-16-4 |
| Catalog Number | AG00AR2L(AGN-PC-0N1KET) |
| Chemical Name | Carbamic acid, [2-(4-nitrophenyl)ethyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[2-(4-nitrophenyl)ethyl]carbamate |
| InChI | InChI=1S/C13H18N2O4/c1-13(2,3)19-12(16)14-9-8-10-4-6-11(7-5-10)15(17)18/h4-7H,8-9H2,1-3H3,(H,14,16) |
| InChI Key | GDPYNCZCYJBYIN-UHFFFAOYSA-N |
| MDL Number | MFCD16620906 |
| Molecular Formula | C13H18N2O4 |
| Molecular Weight | 266.2930 |
| SMILES | [N+](=O)([O-])C1=CC=C(C=C1)CCNC(OC(C)(C)C)=O |
| Synonyms | tert-butyl 4-nitrophenethylcarbamate,
Tert-butyl N-[2-(4-nitrophenyl)ethyl]carbamate,
144226-16-4,
tert-butyl N-(2-(4-nitrophenyl)ethyl)carbamate,
SCHEMBL1717941,
GDPYNCZCYJBYIN-UHFFFAOYSA-N,
ZINC38438263,
AKOS013100793,
ACN-051000,
(4-Nitrophenethyl)carbamic acid tert-butyl ester,
(tert-butoxy)-n-[2-(4-nitrophenyl)ethyl]carboxamide,
[2-(4-Nitro-phenyl)-ethyl]carbamicacid tert-butyl ester,
[2-(4-nitro-phenyl)-ethyl]-carbamic acid tert-butyl ester,
[2-(4-nitro-phenyl)-ethyl]-carbamicacid tert-butyl ester,
CID10264884,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.297g/mol |
| Monoisotopic Mass | 266.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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