| CAS Number | 782405-31-6 |
| Catalog Number | AG019XZN(AGN-PC-0WOTP6) |
| Chemical Name | 3-[(cyclohexyloxy)methyl]aniline |
| IUPAC Name | 3-(cyclohexyloxymethyl)aniline |
| InChI | InChI=1S/C13H19NO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10,14H2 |
| InChI Key | WEUZIXMPMCFMHX-UHFFFAOYSA-N |
| MDL Number | MFCD09815245 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | NC1=CC(COC2CCCCC2)=CC=C1 |
| Synonyms | 3-[(cyclohexyloxy)methyl]aniline,
782405-31-6,
AC1Q51NZ,
ZINC19269672,
AKOS000152691,
MCULE-8791679065,
NE28074,
EN300-56486,
Z1262237388,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number