| CAS Number | 697310-52-4 |
| Catalog Number | AG01BSGH(AGN-PC-0TWM7Z) |
| Chemical Name | tert-butyl N-{[2-(methylamino)phenyl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate |
| InChI | InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-10-7-5-6-8-11(10)14-4/h5-8,14H,9H2,1-4H3,(H,15,16) |
| InChI Key | JELKXGNIYCDHKS-UHFFFAOYSA-N |
| MDL Number | MFCD28534427 |
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.3101 |
| SMILES | CNC1=C(CNC(OC(C)(C)C)=O)C=CC=C1 |
| Synonyms | tert-Butyl N-{[2-(methylamino)phenyl]methyl}carbamate,
697310-52-4,
JELKXGNIYCDHKS-UHFFFAOYSA-N,
ZINC216952632,
tert-butyl[2-(methylamino)benzyl]carbamate,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.315g/mol |
| Monoisotopic Mass | 236.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number