| CAS Number | 851670-22-9 |
| Catalog Number | AG019ZL7(AGN-PC-0CHMB5) |
| Chemical Name | (2-Methoxy-4-methylphenyl)methanamine |
| IUPAC Name | (2-methoxy-4-methylphenyl)methanamine |
| InChI | InChI=1S/C9H13NO/c1-7-3-4-8(6-10)9(5-7)11-2/h3-5H,6,10H2,1-2H3 |
| InChI Key | ZQXRUDOQCLDNBX-UHFFFAOYSA-N |
| MDL Number | MFCD16704878 |
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.2056 |
| SMILES | COC1=C(CN)C=CC(C)=C1 |
| Synonyms | (2-methoxy-4-methylphenyl)methanamine,
851670-22-9,
SCHEMBL95794,
2-methoxy-4-methylbenzylamine,
ZQXRUDOQCLDNBX-UHFFFAOYSA-N,
ZINC51580338,
AKOS011591164,
MCULE-1796213187,
NE24837,
A1-00585,
Benzenemethanamine, 2-methoxy-4-methyl-,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.099714g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.21g/mol |
| Monoisotopic Mass | 151.099714g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number