| CAS Number | 954586-60-8 |
| Catalog Number | AG01AHHU |
| Chemical Name | {3-[(cyclohexyloxy)methyl]phenyl}methanamine |
| IUPAC Name | [3-(cyclohexyloxymethyl)phenyl]methanamine |
| InChI | InChI=1S/C14H21NO/c15-10-12-5-4-6-13(9-12)11-16-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11,15H2 |
| InChI Key | ZWAWMABHDFAJPK-UHFFFAOYSA-N |
| MDL Number | MFCD09740904 |
| Molecular Formula | C14H21NO |
| Molecular Weight | 219.3226 |
| SMILES | NCC1=CC(COC2CCCCC2)=CC=C1 |
| Synonyms | {3-[(cyclohexyloxy)methyl]phenyl}methanamine,
954586-60-8,
ZINC19256266,
AKOS000147504,
MCULE-9486657919,
NE57437,
EN300-74784,
Z1267773552,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.328g/mol |
| Monoisotopic Mass | 219.162g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number