| CAS Number | 443900-39-8 |
| Catalog Number | AG01C4BO |
| Chemical Name | tert-butyl N-{[2-(aminomethyl)phenyl]methyl}-N-methylcarbamate |
| IUPAC Name | tert-butyl N-[[2-(aminomethyl)phenyl]methyl]-N-methylcarbamate |
| InChI | InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16(4)10-12-8-6-5-7-11(12)9-15/h5-8H,9-10,15H2,1-4H3 |
| InChI Key | PDVNJUSGJBBXAH-UHFFFAOYSA-N |
| MDL Number | MFCD12833260 |
| Molecular Formula | C14H22N2O2 |
| Molecular Weight | 250.3367 |
| SMILES | CN(C(OC(C)(C)C)=O)CC1=C(CN)C=CC=C1 |
| Synonyms | 443900-39-8,
tert-butyl 2-(aminomethyl)benzyl(methyl)carbamate,
tert-butyl N-{[2-(aminomethyl)phenyl]methyl}-N-methylcarbamate,
SCHEMBL7408449,
ZINC37757423,
DA-05810,
FT-0740102,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.342g/mol |
| Monoisotopic Mass | 250.168g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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