| CAS Number | 1263078-19-8 |
| Catalog Number | AG000SIR(AGN-PC-0WCYO6) |
| Chemical Name | (S)-3-(3,4-Dihydroxyphenyl)-N,N-dimethyl-2-methylaminopropionamide HBr |
| IUPAC Name | (2S)-3-(3,4-dihydroxyphenyl)-N,N-dimethyl-2-(methylamino)propanamide;hydrobromide |
| InChI | InChI=1S/C12H18N2O3.BrH/c1-13-9(12(17)14(2)3)6-8-4-5-10(15)11(16)7-8;/h4-5,7,9,13,15-16H,6H2,1-3H3;1H/t9-;/m0./s1 |
| InChI Key | YSMOCBZQQJAOPI-FVGYRXGTSA-N |
| MDL Number | MFCD11707111 |
| Molecular Formula | C12H19BrN2O3 |
| Molecular Weight | 319.1949 |
| SMILES | Br.OC1C(=CC=C(C=1)C[C@@H](C(N(C)C)=O)NC)O |
| Synonyms | 1263078-19-8,
(S)-3-(3,4-Dihydroxyphenyl)-N,N-dimethyl-2-methylaminopropionamide HBr,
(S)-3-(3,4-Dihydroxyphenyl)-N,N-dimethyl-2-(methylamino)propanamide hydrobromide,
MFCD11707111,
AS-37812,
AX8266839,
X-2190,
(S)-3-(3,4-Dihydroxy-phenyl)-N,N-dimethyl-2-methylamino-propionamide hydrobromide,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.199g/mol |
| Monoisotopic Mass | 318.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number