| CAS Number | 868783-63-5 |
| Catalog Number | AG019MAU |
| Chemical Name | tert-Butyl 2-aminobenzyl(methyl)carbamate |
| IUPAC Name | tert-butyl N-[(2-aminophenyl)methyl]-N-methylcarbamate |
| InChI | InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15(4)9-10-7-5-6-8-11(10)14/h5-8H,9,14H2,1-4H3 |
| InChI Key | XDVPWOBOBAYXPT-UHFFFAOYSA-N |
| MDL Number | MFCD10686722 |
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.3101 |
| SMILES | CN(C(OC(C)(C)C)=O)CC1=C(N)C=CC=C1 |
| Synonyms | tert-butyl 2-aminobenzyl(methyl)carbamate,
tert-butyl N-[(2-aminophenyl)methyl]-N-methylcarbamate,
868783-63-5,
AC1Q3XBC,
SCHEMBL2061803,
CTK7G2243,
XDVPWOBOBAYXPT-UHFFFAOYSA-N,
ZINC12480801,
AKOS009237700,
MCULE-7029731183,
NE44708,
EN300-35618,
methyl-(2-amino-benzyl)-carbamic acid tert-butyl ester,
Z425387720,
|
| Complexity | 261 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.315g/mol |
| Monoisotopic Mass | 236.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number