| CAS Number | 1094689-12-9 |
| Catalog Number | AG01A936 |
| Chemical Name | tert-butyl N-{2-[4-(aminomethyl)phenyl]ethyl}carbamate |
| IUPAC Name | tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate |
| InChI | InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-9-8-11-4-6-12(10-15)7-5-11/h4-7H,8-10,15H2,1-3H3,(H,16,17) |
| InChI Key | MOOOPSISNWRGLA-UHFFFAOYSA-N |
| MDL Number | MFCD11525087 |
| Molecular Formula | C14H22N2O2 |
| Molecular Weight | 250.3367 |
| SMILES | CC(OC(NCCC1=CC=C(CN)C=C1)=O)(C)C |
| Synonyms | tert-butyl 4-(aminomethyl)phenethylcarbamate,
1094689-12-9,
tert-butyl N-{2-[4-(aminomethyl)phenyl]ethyl}carbamate,
EN300-64063,
AC1Q1NF0,
ZINC37034959,
tert-butyl n-(2-[4-(aminomethyl)phenyl]ethyl)carbamate,
|
| Complexity | 253 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.342g/mol |
| Monoisotopic Mass | 250.168g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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