| CAS Number | 198895-53-3 |
| Catalog Number | AG01BBJP(AGN-PC-0QQ804) |
| Chemical Name | tert-butyl N-{[(1r,4r)-4-(bromomethyl)cyclohexyl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[4-(bromomethyl)cyclohexyl]methyl]carbamate |
| InChI | InChI=1S/C13H24BrNO2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h10-11H,4-9H2,1-3H3,(H,15,16) |
| InChI Key | AJOZRYSXFRMCKE-UHFFFAOYSA-N |
| MDL Number | MFCD28954083 |
| Molecular Formula | C13H24BrNO2 |
| Molecular Weight | 306.2392 |
| SMILES | CC(OC(NC[C@@H]1CC[C@@H](CBr)CC1)=O)(C)C |
| Synonyms | tert-Butyl N-{[4-(bromomethyl)cyclohexyl]methyl}carbamate,
1934474-99-3,
SCHEMBL7986553,
SCHEMBL7986555,
AJOZRYSXFRMCKE-XYPYZODXSA-N,
ZINC80775602,
ZINC238833258,
FCH3601395,
198895-53-3,
EN300-221978,
tert-butyl N-{[4-(bromomethyl)cyclohexyl]methyl}carbamate, trans,
n-(trans-4-bromomethyl-1-cyclohexylmethyl)-n-(tert-butoxycarbonyl)amine,
trans-tert-butyl ((4-(bromomethyl)cyclohexyl)methyl)carbamate,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.244g/mol |
| Monoisotopic Mass | 305.099g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number