| CAS Number | 1017035-47-0 |
| Catalog Number | AG01AHTY |
| Chemical Name | 1-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide |
| IUPAC Name | 1-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide |
| InChI | InChI=1S/C13H17BrN2O/c14-10-4-6-11(7-5-10)16-12(17)13(15)8-2-1-3-9-13/h4-7H,1-3,8-9,15H2,(H,16,17) |
| InChI Key | YQJRKIOZFZGTHQ-UHFFFAOYSA-N |
| MDL Number | MFCD09942615 |
| Molecular Formula | C13H17BrN2O |
| Molecular Weight | 297.1909 |
| SMILES | NC1(C(NC2=CC=C(Br)C=C2)=O)CCCCC1 |
| Synonyms | 1-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide,
1017035-47-0,
1-amino-n-(4-bromophenyl)cyclohexanecarboxamide,
SCHEMBL3231788,
ZINC19488509,
AKOS000186364,
MCULE-2698064564,
NE54042,
FT-0736717,
EN300-75804,
Z927747040,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.196g/mol |
| Monoisotopic Mass | 296.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number