| CAS Number | 42291-01-0 |
| Catalog Number | AG00CMWF |
| Chemical Name | 1-(2,3-Dimethylphenyl)ethan-1-amine |
| IUPAC Name | 1-(2,3-dimethylphenyl)ethanamine |
| InChI | InChI=1S/C10H15N/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6,9H,11H2,1-3H3 |
| InChI Key | BCMVLFXVTXOVBQ-UHFFFAOYSA-N |
| MDL Number | MFCD16300840 |
| Molecular Formula | C10H15N |
| Molecular Weight | 149.2328 |
| SMILES | CC(C1=C(C)C(C)=CC=C1)N |
| Synonyms | 1-(2,3-dimethylphenyl)ethan-1-amine,
42291-01-0,
SCHEMBL7751159,
MFCD16300840,
AKOS011842045,
MCULE-7857798646,
NE26050,
(S)-1-(2,3-dimethylphenyl)ethan-1-amine,
EN300-78357,
Z1269702508,
ACN-054817,
ACN-054820,
(R)-1-(2,3-dimethylphenyl)ethan-1-amine,
1-(2,3-Dimethylphenyl)ethan-1-amine hydrochloride - 1G 1g,
1032225-25-4,
1212991-78-0,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.237g/mol |
| Monoisotopic Mass | 149.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number