| CAS Number | 1408229-31-1 |
| Catalog Number | AG001CV3(AGN-PC-0WCXA7) |
| Chemical Name | (R)-3-Amino-2-methyl-5-(methylthio)pentan-2-ol hydrochloride |
| IUPAC Name | (3R)-3-amino-2-methyl-5-methylsulfanylpentan-2-ol;hydrochloride |
| InChI | InChI=1S/C7H17NOS.ClH/c1-7(2,9)6(8)4-5-10-3;/h6,9H,4-5,8H2,1-3H3;1H/t6-;/m1./s1 |
| InChI Key | KBXVETFSOHYWIP-FYZOBXCZSA-N |
| MDL Number | MFCD28043520 |
| Molecular Formula | C7H18ClNOS |
| Molecular Weight | 199.7419 |
| SMILES | CSCC[C@@H](N)C(C)(C)O.Cl |
| Synonyms | 1408229-31-1,
(3R)-3-amino-2-methyl-5-(methylsulfanyl)pentan-2-ol hydrochloride,
(R)-3-Amino-2-methyl-5-(methylthio)pentan-2-ol hydrochloride,
1400744-21-9,
(3R)-3-Amino-2-methyl-5-(methylsulfanyl)pentan-2-ol HCl,
(S)-3-AMINO-2-METHYL-5-(METHYLTHIO)-2-PENTANOL HYDROCHLORIDE,
168648-49-5,
KS-000004WD,
MFCD28043520,
AKOS025289713,
AK171145,
AS-52170,
Q-1406,
(R)-3-Amino-2-methyl-5-(methylthio)-2-pentanol HCl,
2-Pentanol, 3-amino-2-methyl-5-(methylthio)-, hydrochloride (1:1), (3S)-,
(S)-3-Amino-2-methyl-5-(methylthio)-2-pentanol HCl,
|
| Complexity | 95.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.737g/mol |
| Monoisotopic Mass | 199.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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