| CAS Number | 37806-37-4 |
| Catalog Number | AG019WIN(AGN-PC-0WOMUP) |
| Chemical Name | [2-(2-methylpropoxy)phenyl]methanamine |
| IUPAC Name | [2-(2-methylpropoxy)phenyl]methanamine |
| InChI | InChI=1S/C11H17NO/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-6,9H,7-8,12H2,1-2H3 |
| InChI Key | KJYRIJFDSZQEHR-UHFFFAOYSA-N |
| MDL Number | MFCD09741457 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC(COC1=C(CN)C=CC=C1)C |
| Synonyms | [2-(2-methylpropoxy)phenyl]methanamine,
AC1Q1PS7,
SCHEMBL14009301,
CTK7E6520,
ZINC19257871,
AKOS000151121,
MCULE-3062136239,
NE35608,
1-(2-ISOBUTOXYPHENYL)METHANAMINE,
37806-37-4,
EN300-52099,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number