| CAS Number | 1396966-74-7 |
| Catalog Number | AG019UV4(AGN-PC-0WORD5) |
| Chemical Name | 2-Amino-3-(propylsulfanyl)propanoic acid hydrochloride |
| IUPAC Name | 2-amino-3-propylsulfanylpropanoic acid;hydrochloride |
| InChI | InChI=1S/C6H13NO2S.ClH/c1-2-3-10-4-5(7)6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H |
| InChI Key | LVVXRLFIQQTMSV-UHFFFAOYSA-N |
| MDL Number | MFCD11857988 |
| Molecular Formula | C6H14ClNO2S |
| Molecular Weight | 199.6989 |
| SMILES | Cl.CCCSCC(C(O)=O)N |
| Synonyms | 2-amino-3-(propylsulfanyl)propanoic acid hydrochloride,
1396966-74-7,
AC1Q39RH,
CTK6E6602,
AKOS008105031,
MCULE-1465196294,
NE38046,
EN300-42918,
Z444349874,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.693g/mol |
| Monoisotopic Mass | 199.043g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number