| CAS Number | 811842-12-3 |
| Catalog Number | AG008KZW(AGN-PC-0UIZPN) |
| Chemical Name | 4-(4'-Aminomethyl)phenyl-1-N-Boc-aniline |
| IUPAC Name | tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate |
| InChI | InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-16-10-8-15(9-11-16)14-6-4-13(12-19)5-7-14/h4-11H,12,19H2,1-3H3,(H,20,21) |
| InChI Key | GKCVJEWXABJGFZ-UHFFFAOYSA-N |
| MDL Number | MFCD03426352 |
| Molecular Formula | C18H22N2O2 |
| Molecular Weight | 298.3795 |
| SMILES | O(C(C)(C)C)C(NC1C=CC(=CC=1)C1C=CC(CN)=CC=1)=O |
| Synonyms | 811842-12-3,
4-(4'-Aminomethyl)phenyl-1-N-Boc-aniline,
tert-Butyl (4'-(aminomethyl)-[1,1'-biphenyl]-4-yl)carbamate,
Tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate,
AC1MBTPL,
CTK8E9561,
DTXSID50373397,
ZINC2580909,
MFCD03426352,
AB0075403,
AX8037741,
RT-009180,
A13603,
X-2933,
S14-2361,
4-(4'-aminomethyl)phenyl-1-N-Boc-aniline, AldrichCPR,
CID2756497,
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| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.386g/mol |
| Monoisotopic Mass | 298.168g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number