| CAS Number | 623570-52-5 |
| Catalog Number | AG00ELK7(AGN-PC-02YR75) |
| Chemical Name | (2-Methoxy-3-methylphenyl)methanamine |
| IUPAC Name | (2-methoxy-3-methylphenyl)methanamine |
| InChI | InChI=1S/C9H13NO/c1-7-4-3-5-8(6-10)9(7)11-2/h3-5H,6,10H2,1-2H3 |
| InChI Key | KUEZWFCAMNEDNK-UHFFFAOYSA-N |
| MDL Number | MFCD18398314 |
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.2056 |
| SMILES | COC1=C(CN)C=CC=C1C |
| Synonyms | (2-methoxy-3-methylphenyl)methanamine,
623570-52-5,
2-methoxy-3-methyl-benzylamine,
2-Methoxy-3-methylbenzylamine,
SCHEMBL4895058,
ZINC82631793,
J-509791,
2-Methoxy-3-methylbenzenemethanamine,
|
| 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 | 1.5 |
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Certificate of Analysis
Lot Number