| CAS Number | 158414-70-1 |
| Catalog Number | AG01ACLY(AGN-PC-0WOTWO) |
| Chemical Name | 3-Amino-5,5-dimethylhexanoic acid hydrochloride |
| IUPAC Name | 3-amino-5,5-dimethylhexanoic acid;hydrochloride |
| InChI | InChI=1S/C8H17NO2.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6H,4-5,9H2,1-3H3,(H,10,11);1H |
| InChI Key | YZJSMEBXCQXZGS-UHFFFAOYSA-N |
| MDL Number | MFCD26408030 |
| Molecular Formula | C8H18ClNO2 |
| Molecular Weight | 195.6870 |
| SMILES | Cl.CC(CC(CC(O)=O)N)(C)C |
| Synonyms | 3-amino-5,5-dimethylhexanoic acid hydrochloride,
158414-70-1,
AKOS026743441,
MCULE-6200056500,
NE17646,
Z1704732913,
(R)-3-Amino-5,5-dimethylhexanoic acid hydrochloride,
147228-35-1,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.687g/mol |
| Monoisotopic Mass | 195.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number