| CAS Number | 1183185-25-2 |
| Catalog Number | AG01A0A9 |
| Chemical Name | tert-butyl N-{1-[4-(aminomethyl)phenyl]ethyl}carbamate |
| IUPAC Name | tert-butyl N-[1-[4-(aminomethyl)phenyl]ethyl]carbamate |
| InChI | InChI=1S/C14H22N2O2/c1-10(16-13(17)18-14(2,3)4)12-7-5-11(9-15)6-8-12/h5-8,10H,9,15H2,1-4H3,(H,16,17) |
| InChI Key | BLDKWHXLDRAEJG-UHFFFAOYSA-N |
| MDL Number | MFCD12875169 |
| Molecular Formula | C14H22N2O2 |
| Molecular Weight | 250.3367 |
| SMILES | CC(C1=CC=C(CN)C=C1)NC(OC(C)(C)C)=O |
| Synonyms | tert-butyl N-{1-[4-(aminomethyl)phenyl]ethyl}carbamate,
1183185-25-2,
tert-Butyl (1-(4-(aminomethyl)phenyl)ethyl)carbamate,
AKOS010142192,
MCULE-1476832810,
NE44522,
Z1431002707,
|
| Complexity | 266 |
| 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 | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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