| CAS Number | 679428-13-8 |
| Catalog Number | AG00FG4C(AGN-PC-02YR77) |
| Chemical Name | (3-Methoxy-2-methylphenyl)methanamine |
| IUPAC Name | (3-methoxy-2-methylphenyl)methanamine |
| InChI | InChI=1S/C9H13NO/c1-7-8(6-10)4-3-5-9(7)11-2/h3-5H,6,10H2,1-2H3 |
| InChI Key | FBBJLSZDPHZRPZ-UHFFFAOYSA-N |
| MDL Number | MFCD18398316 |
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.2056 |
| SMILES | COC1=C(C)C(CN)=CC=C1 |
| Synonyms | (3-methoxy-2-methylphenyl)methanamine,
679428-13-8,
3-Methoxy-2-methylbenzylamine,
SCHEMBL607066,
3-Methoxy-2-methylbenzenemethanamine,
ZINC83339545,
J-512748,
N/A,
|
| 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 |
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Certificate of Analysis
Lot Number