| CAS Number | 1268982-48-4 |
| Catalog Number | AG009ZT8(AGN-PC-0WB723) |
| Chemical Name | [1-(2,4-dimethylphenyl)propyl]amine hydrochloride |
| IUPAC Name | 1-(2,4-dimethylphenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H17N.ClH/c1-4-11(12)10-6-5-8(2)7-9(10)3;/h5-7,11H,4,12H2,1-3H3;1H |
| InChI Key | IBRGHVMFMQNILO-UHFFFAOYSA-N |
| MDL Number | MFCD18483414 |
| Molecular Formula | C11H18ClN |
| Molecular Weight | 199.7203 |
| SMILES | C1(C(CC)N)C=CC(=CC=1C)C.Cl |
| Synonyms | 1268982-48-4,
1-(2,4-DIMETHYLPHENYL)PROPAN-1-AMINE HYDROCHLORIDE,
SCHEMBL4934492,
ZX-CM005010,
MFCD18483414,
AKOS024301766,
MCULE-6207700448,
AK134037,
[1-(2,4-dimethylphenyl)propyl]amine hydrochloride,
(S)-1-(2,4-Dimethylphenyl)propan-1-amine hydrochloride,
(R)-1-(2,4-Dimethylphenyl)propan-1-amine hydrochloride,
1032114-81-0,
856563-03-6,
|
| 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