| CAS Number | 167756-90-3 |
| Catalog Number | AG019MTJ(AGN-PC-0NBKK5) |
| Chemical Name | Tert-butyl n-[(3-aminophenyl)methyl]-n-methylcarbamate |
| IUPAC Name | tert-butyl N-[(3-aminophenyl)methyl]-N-methylcarbamate |
| InChI | InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15(4)9-10-6-5-7-11(14)8-10/h5-8H,9,14H2,1-4H3 |
| InChI Key | WKSUFZUBKZRSME-UHFFFAOYSA-N |
| MDL Number | MFCD11099516 |
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.3101 |
| SMILES | CC(C)(C)OC(=O)N(C)CC1=CC(=CC=C1)N |
| Synonyms | tert-butyl 3-aminobenzyl(methyl)carbamate,
167756-90-3,
tert-butyl N-[(3-aminophenyl)methyl]-N-methylcarbamate,
AC1Q3XBS,
3-(n-tert-butoxycarbonyl-n-methylaminomethyl)aniline,
SCHEMBL2228851,
CTK7D8922,
ZINC32627231,
AKOS009304735,
MCULE-2055890387,
NE14875,
3-[(N-Boc-N-methylamino)methyl]aniline,
EN300-37241,
J-010392,
Z1245537959,
CID10847423,
Tert-butyl N-[(3-aminophenyl)methyl]-N-methyl-carbamate,
|
| 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