| CAS Number | 1508477-85-7 |
| Catalog Number | AG01DVG8 |
| Chemical Name | tert-butyl N-{3-[(methylamino)methyl]phenyl}carbamate |
| IUPAC Name | tert-butyl N-[3-(methylaminomethyl)phenyl]carbamate |
| InChI | InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-11-7-5-6-10(8-11)9-14-4/h5-8,14H,9H2,1-4H3,(H,15,16) |
| InChI Key | PSQYKLPCNITCGP-UHFFFAOYSA-N |
| MDL Number | MFCD21170533 |
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.3101 |
| SMILES | CNCC1=CC(NC(OC(C)(C)C)=O)=CC=C1 |
| Synonyms | tert-butyl N-(3-[(methylamino)methyl]phenyl)carbamate,
1508477-85-7,
SCHEMBL13715448,
AKOS014475844,
|
| Complexity | 248 |
| 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 | 5 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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