| CAS Number | 371158-46-2 |
| Catalog Number | AG01DWDU(AGN-PC-009AXW) |
| Chemical Name | 1,1-Dimethylethyl N-(2-amino-4,5-dimethylphenyl)carbamate |
| IUPAC Name | tert-butyl N-(2-amino-4,5-dimethylphenyl)carbamate |
| InChI | InChI=1S/C13H20N2O2/c1-8-6-10(14)11(7-9(8)2)15-12(16)17-13(3,4)5/h6-7H,14H2,1-5H3,(H,15,16) |
| InChI Key | AVAMDLBTVJVCRL-UHFFFAOYSA-N |
| MDL Number | MFCD17029211 |
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.3101 |
| SMILES | O=C(OC(C)(C)C)NC=1C=C(C(=CC1N)C)C |
| Synonyms | 371158-46-2,
TERT-BUTYL N-(2-AMINO-4,5-DIMETHYLPHENYL)CARBAMATE,
SCHEMBL4212736,
AVAMDLBTVJVCRL-UHFFFAOYSA-N,
ZINC50439122,
AKOS011379017,
carbamic acid,n-(2-amino-4,5-dimethylphenyl)-,1,1-dimethylethyl ester,
Tert-butyl 2-amino-4,5-dimethylphenylcarbamate,
N-(tert-Butoxycarbonyl)-4,5-dimethylbenzene-1,2-diamine,
CID11447711,
Tert-butyl N-(2-amino-4,5-dimethyl-phenyl)carbamate,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.152478g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.31g/mol |
| Monoisotopic Mass | 236.152478g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number