| CAS Number | 5470-35-9 |
| Catalog Number | AG01B5C5 |
| Chemical Name | 2-(3,4-dimethylphenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(3,4-dimethylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C10H15N.ClH/c1-8-3-4-10(5-6-11)7-9(8)2;/h3-4,7H,5-6,11H2,1-2H3;1H |
| InChI Key | XBBBDOWBOFGSJI-UHFFFAOYSA-N |
| MDL Number | MFCD30181033 |
| Molecular Formula | C10H16ClN |
| Molecular Weight | 185.6937 |
| NSC Number | 26222 |
| SMILES | Cl.CC1=C(C)C=C(CCN)C=C1 |
| Synonyms | 5470-35-9,
2-(3,4-dimethylphenyl)ethan-1-amine hydrochloride,
SCHEMBL857309,
DTXSID10713376,
XBBBDOWBOFGSJI-UHFFFAOYSA-N,
NSC26222,
NSC-26222,
2-(3,4-dimethylphenyl)ethanamine hydrochloride,
Z2574917605,
2-(3,4-Dimethylphenyl)ethan-1-amine--hydrogen chloride (1/1),
2-(3,4-dimethylphenyl)ethanamine,hydrochloride,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.695g/mol |
| Monoisotopic Mass | 185.097g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number