| CAS Number | 1039933-71-5 |
| Catalog Number | AG019XUU |
| Chemical Name | 3-[(octyloxy)methyl]aniline |
| IUPAC Name | 3-(octoxymethyl)aniline |
| InChI | InChI=1S/C15H25NO/c1-2-3-4-5-6-7-11-17-13-14-9-8-10-15(16)12-14/h8-10,12H,2-7,11,13,16H2,1H3 |
| InChI Key | XEFBWLJBKZJSDY-UHFFFAOYSA-N |
| MDL Number | MFCD11196400 |
| Molecular Formula | C15H25NO |
| Molecular Weight | 235.3651 |
| SMILES | CCCCCCCCOCC1=CC(N)=CC=C1 |
| Synonyms | 3-[(octyloxy)methyl]aniline,
1039933-71-5,
AC1Q2WBO,
CTK6E0827,
ZINC59083070,
AKOS009263837,
MCULE-2668474561,
NE17963,
EN300-56089,
Z1262237374,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.371g/mol |
| Monoisotopic Mass | 235.194g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number