| CAS Number | 1268990-99-3 |
| Catalog Number | AG009ZTA(AGN-PC-0WB72P) |
| Chemical Name | [1-(3,4-dimethylphenyl)propyl]amine hydrochloride |
| IUPAC Name | 1-(3,4-dimethylphenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H17N.ClH/c1-4-11(12)10-6-5-8(2)9(3)7-10;/h5-7,11H,4,12H2,1-3H3;1H |
| InChI Key | DHOYDEIOTDWSJT-UHFFFAOYSA-N |
| MDL Number | MFCD18483495 |
| Molecular Formula | C11H18ClN |
| Molecular Weight | 199.7203 |
| SMILES | C1C(C)=C(C)C=CC=1C(CC)N.Cl |
| Synonyms | 1268990-99-3,
1-(3,4-Dimethylphenyl)propan-1-amine hydrochloride,
SCHEMBL4934773,
ZX-CM007550,
MFCD18483495,
AKOS024301767,
MCULE-9253907881,
4CH-019567,
[1-(3,4-dimethylphenyl)propyl]amine hydrochloride,
1-(3,4-DIMETHYLPHENYL)-1-PROPANAMINE HYDROCHLORIDE,
(R)-1-(3,4-Dimethylphenyl)propan-1-amine hydrochloride,
(S)-1-(3,4-Dimethylphenyl)propan-1-amine hydrochloride,
856563-05-8,
1213597-00-2,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.722g/mol |
| Monoisotopic Mass | 199.113g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number