| CAS Number | 285119-75-7 |
| Catalog Number | AG00I5CG(AGN-PC-0R457D) |
| Chemical Name | Carbamic acid,[4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]phenyl]-,1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamate |
| InChI | InChI=1S/C17H26N2O4/c1-16(2,3)22-14(20)18-11-12-7-9-13(10-8-12)19-15(21)23-17(4,5)6/h7-10H,11H2,1-6H3,(H,18,20)(H,19,21) |
| InChI Key | JJMAAGCUISTRFH-UHFFFAOYSA-N |
| MDL Number | MFCD16621682 |
| Molecular Formula | C17H26N2O4 |
| Molecular Weight | 322.3993 |
| SMILES | O=C(OC(C)(C)C)NCC1=CC=C(NC(OC(C)(C)C)=O)C=C1 |
| Synonyms | tert-Butyl (4-N-boc-aminobenzyl)carbamate,
285119-75-7,
MFCD16621682,
ZINC98213390,
N-(tert-Butyloxycarbonyl)-4-[(tert-butyloxycarbonylamino)methyl]aniline,
Carbamic acid,[4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]phenyl]-,1,1-dimethylethyl ester,
tert-butyl 4-N'-Boc-aminobenzylcarbamate,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.405g/mol |
| Monoisotopic Mass | 322.189g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number