| CAS Number | 247570-28-1 |
| Catalog Number | AG00BJD9 |
| Chemical Name | (3-Methoxy-4-methylphenyl)methanamine |
| IUPAC Name | (3-methoxy-4-methylphenyl)methanamine |
| InChI | InChI=1S/C9H13NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,6,10H2,1-2H3 |
| InChI Key | IGAKDRWFTAVNCF-UHFFFAOYSA-N |
| MDL Number | MFCD09809087 |
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.2056 |
| SMILES | COC1=C(C)C=CC(CN)=C1 |
| Synonyms | (3-methoxy-4-methylphenyl)methanamine,
247570-28-1,
3-methoxy-4-methylbenzylamine,
SCHEMBL6946432,
ZINC19415428,
AKOS000164236,
MCULE-9843159220,
NE14488,
AB01000550-01,
1-(3-Methoxy-4-methylphenyl)methanamine,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.209g/mol |
| Monoisotopic Mass | 151.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number