| CAS Number | 1087784-32-4 |
| Catalog Number | AG019MRR |
| Chemical Name | tert-butyl N-[(2-aminophenyl)methyl]-N-ethylcarbamate |
| IUPAC Name | tert-butyl N-[(2-aminophenyl)methyl]-N-ethylcarbamate |
| InChI | InChI=1S/C14H22N2O2/c1-5-16(13(17)18-14(2,3)4)10-11-8-6-7-9-12(11)15/h6-9H,5,10,15H2,1-4H3 |
| InChI Key | NSDOLYGKVOUDHW-UHFFFAOYSA-N |
| MDL Number | MFCD11099489 |
| Molecular Formula | C14H22N2O2 |
| Molecular Weight | 250.3367 |
| SMILES | O=C(OC(C)(C)C)N(CC1=CC=CC=C1N)CC |
| Synonyms | tert-butyl 2-aminobenzyl(ethyl)carbamate,
tert-butyl N-[(2-aminophenyl)methyl]-N-ethylcarbamate,
1087784-32-4,
tert-Butyl (2-aminobenzyl)(ethyl)carbamate,
AC1Q2ZKI,
CTK6E7017,
ZINC32627180,
AKOS009293536,
MCULE-2282004794,
NE35496,
EN300-37079,
Z1245633129,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.342g/mol |
| Monoisotopic Mass | 250.168g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number