| CAS Number | 401573-38-4 |
| Catalog Number | AG01EJFA(AGN-PC-0RM5H0) |
| Chemical Name | tert-butyl N-[(4-amino-3-methoxyphenyl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(4-amino-3-methoxyphenyl)methyl]carbamate |
| InChI | InChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-8-9-5-6-10(14)11(7-9)17-4/h5-7H,8,14H2,1-4H3,(H,15,16) |
| InChI Key | PGINQUVNUVLJHB-UHFFFAOYSA-N |
| MDL Number | MFCD24475834 |
| Molecular Formula | C13H20N2O3 |
| Molecular Weight | 252.3095 |
| SMILES | COC1=C(N)C=CC(CNC(OC(C)(C)C)=O)=C1 |
| Synonyms | SCHEMBL5718761,
PGINQUVNUVLJHB-UHFFFAOYSA-N,
ZINC38241087,
AKOS023652050,
(4-amino-3-methoxybenzyl)carbamic acid t-butyl ester,
tert-butyl N-[(4-amino-3-methoxyphenyl)methyl]carbamate,
401573-38-4,
CID11097064,
Tert-butyl N-[(4-amino-3-methoxy-phenyl)methyl]carbamate,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.314g/mol |
| Monoisotopic Mass | 252.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number