| CAS Number | 18149-16-1 |
| Catalog Number | AG00BBGS(AGN-PC-00KGWM) |
| Chemical Name | 2-(3-methoxy-4-methylphenyl)ethan-1-amine |
| IUPAC Name | 2-(3-methoxy-4-methylphenyl)ethanamine |
| InChI | InChI=1S/C10H15NO/c1-8-3-4-9(5-6-11)7-10(8)12-2/h3-4,7H,5-6,11H2,1-2H3 |
| InChI Key | PXSYKFKOKXYQRH-UHFFFAOYSA-N |
| MDL Number | MFCD06212748 |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.2322 |
| SMILES | COC1=C(C)C=CC(CCN)=C1 |
| Synonyms | 2-(3-methoxy-4-methylphenyl)ethan-1-amine,
18149-16-1,
2-(3-METHOXY-4-METHYLPHENYL)ETHANAMINE,
Benzeneethanamine, 3-methoxy-4-methyl-,
SCHEMBL3780939,
DTXSID00515245,
PXSYKFKOKXYQRH-UHFFFAOYSA-N,
ZINC39370232,
AKOS006293315,
MCULE-9824242081,
NE21580,
SC-39727,
EN300-84414,
Z1258578173,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.236g/mol |
| Monoisotopic Mass | 165.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number