| CAS Number | 1909319-84-1 |
| Catalog Number | AG01C1O3 |
| Chemical Name | tert-butyl N-[(3-amino-5-methylphenyl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(3-amino-5-methylphenyl)methyl]carbamate |
| InChI | InChI=1S/C13H20N2O2/c1-9-5-10(7-11(14)6-9)8-15-12(16)17-13(2,3)4/h5-7H,8,14H2,1-4H3,(H,15,16) |
| InChI Key | QXFVUHGOFINSDJ-UHFFFAOYSA-N |
| MDL Number | MFCD29762666 |
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.3101 |
| SMILES | CC1=CC(CNC(OC(C)(C)C)=O)=CC(N)=C1 |
| Synonyms | tert-butyl 3-amino-5-methylbenzylcarbamate,
1909319-84-1,
tert-butyl (3-amino-5-methylbenzyl)carbamate,
SCHEMBL18041420,
QXFVUHGOFINSDJ-UHFFFAOYSA-N,
MFCD29762666,
AKOS030630583,
ZINC306492909,
AS-43682,
t-Butyl (3-amino-5-methylbenzyl)carbamate,
tert-butyl N-[(3-amino-5-methylphenyl)methyl]carbamate,
Z2372279377,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.315g/mol |
| Monoisotopic Mass | 236.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number