| CAS Number | 1383968-85-1 |
| Catalog Number | AG00HVA7(AGN-PC-0WD35K) |
| Chemical Name | tert-Butyl 4-((2-amino-4-bromophenyl)amino)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-amino-4-bromoanilino)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H24BrN3O2/c1-16(2,3)22-15(21)20-8-6-12(7-9-20)19-14-5-4-11(17)10-13(14)18/h4-5,10,12,19H,6-9,18H2,1-3H3 |
| InChI Key | OUDALQGCUNYHEH-UHFFFAOYSA-N |
| MDL Number | MFCD23378690 |
| Molecular Formula | C16H24BrN3O2 |
| Molecular Weight | 370.2847 |
| SMILES | O=C(N1CCC(NC2=CC=C(Br)C=C2N)CC1)OC(C)(C)C |
| Synonyms | 1383968-85-1,
tert-Butyl 4-((2-amino-4-bromophenyl)amino)piperidine-1-carboxylate,
tert-Butyl 4-(2-amino-4-bromophenyl amino)piperidine-1-carboxylate,
SCHEMBL10059191,
DTXSID40737904,
MFCD23378690,
ZINC95830116,
AJ-134258,
AX8259967,
tert-butyl 4-(2-amino-4-bromoanilino)piperidine-1-carboxylate,
tert-butyl 4-(2-amino-4-bromophenylamino)piperidine-1-carboxylate,
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| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.291g/mol |
| Monoisotopic Mass | 369.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number