| CAS Number | 1373233-28-3 |
| Catalog Number | AG00HUX1(AGN-PC-0WNWCD) |
| Chemical Name | 4-Bromo-1-N-cyclohexyl-5-ethoxybenzene-1,2-diamine |
| IUPAC Name | 4-bromo-1-N-cyclohexyl-5-ethoxybenzene-1,2-diamine |
| InChI | InChI=1S/C14H21BrN2O/c1-2-18-14-9-13(12(16)8-11(14)15)17-10-6-4-3-5-7-10/h8-10,17H,2-7,16H2,1H3 |
| InChI Key | ISFODVZUIFXEFA-UHFFFAOYSA-N |
| MDL Number | MFCD22192386 |
| Molecular Formula | C14H21BrN2O |
| Molecular Weight | 313.2333 |
| SMILES | CCOc1cc(NC2CCCCC2)c(cc1Br)N |
| Synonyms | 4-BROMO-1-N-CYCLOHEXYL-5-ETHOXYBENZENE-1,2-DIAMINE,
1373233-28-3,
KM3625,
MFCD22192386,
ZINC95494816,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.239g/mol |
| Monoisotopic Mass | 312.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number