| CAS Number | 1821908-49-9 |
| Catalog Number | AG01EPO3(AGN-PC-3H471C) |
| Chemical Name | 2S-amino-N-[[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl]-propanamide,monohydrochloride |
| IUPAC Name | (2S)-2-amino-N-[[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl]propanamide;hydrochloride |
| InChI | InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1 |
| InChI Key | OQGSBQJSJRLNQH-RSAXXLAASA-N |
| MDL Number | MFCD30537226 |
| Molecular Formula | C19H25ClN2O2 |
| Molecular Weight | 348.8670 |
| SMILES | C[C@H](N)C(NCC1=CC=C(OC2=CC(C)=CC(C)=C2)C(C)=C1)=O.[H]Cl |
| Synonyms | 1821908-49-9,
SGC2085 HCl,
SGC2085.hcl,
BCP28941,
(S)-2-amino-N-(4-(3,5-dimethylphenoxy)-3-methylbenzyl)propanamide hydrochloride,
2S-amino-N-[[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl]-propanamide,monohydrochloride,
SGC2085,
SGC-2085,
1821908-48-8,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.16g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.871g/mol |
| Monoisotopic Mass | 348.16g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number