| CAS Number | 868783-62-4 |
| Catalog Number | AG019F1F |
| Chemical Name | tert-butyl N-methyl-N-[(2-nitrophenyl)methyl]carbamate |
| IUPAC Name | tert-butyl N-methyl-N-[(2-nitrophenyl)methyl]carbamate |
| InChI | InChI=1S/C13H18N2O4/c1-13(2,3)19-12(16)14(4)9-10-7-5-6-8-11(10)15(17)18/h5-8H,9H2,1-4H3 |
| InChI Key | LWGWFQMZZSYANO-UHFFFAOYSA-N |
| MDL Number | MFCD11846371 |
| Molecular Formula | C13H18N2O4 |
| Molecular Weight | 266.2930 |
| SMILES | CN(C(OC(C)(C)C)=O)CC1=C([N+]([O-])=O)C=CC=C1 |
| Synonyms | 868783-62-4,
(N-methyl-N-tert-butoxycarbonyl-aminomethyl)-nitrobenzene,
tert-butyl methyl(2-nitrobenzyl)carbamate,
SCHEMBL2061458,
LWGWFQMZZSYANO-UHFFFAOYSA-N,
MFCD11846371,
AKOS013099416,
t-Butyl methyl(2-nitrobenzyl)carbamate,
CS-0062072,
methyl-(2-nitro-benzyl)-carbamic acid tert-butyl ester,
|
| Complexity | 333 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.297g/mol |
| Monoisotopic Mass | 266.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number