| CAS Number | 937-36-0 |
| Catalog Number | AG01B1RA(AGN-PC-0HFDDD) |
| Chemical Name | 4-(Aminomethyl)-2,6-Dimethylphenol Hydrochloride |
| IUPAC Name | 4-(aminomethyl)-2,6-dimethylphenol;hydrochloride |
| InChI | InChI=1S/C9H13NO.ClH/c1-6-3-8(5-10)4-7(2)9(6)11;/h3-4,11H,5,10H2,1-2H3;1H |
| InChI Key | OIMNAPPKIOGXQL-UHFFFAOYSA-N |
| MDL Number | MFCD27980962 |
| Molecular Formula | C9H14ClNO |
| Molecular Weight | 187.6666 |
| SMILES | OC1=C(C)C=C(CN)C=C1C.[H]Cl |
| Synonyms | 4-(Aminomethyl)-2,6-dimethylphenol hydrochloride,
937-36-0,
SCHEMBL2455453,
OIMNAPPKIOGXQL-UHFFFAOYSA-N,
NE52533,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.667g/mol |
| Monoisotopic Mass | 187.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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