| CAS Number | 1272758-12-9 |
| Catalog Number | AG00HRO6(AGN-PC-0WNPXX) |
| Chemical Name | Methyl 3-amino-4,4-dimethylpentanate hcl |
| IUPAC Name | methyl 3-amino-4,4-dimethylpentanoate;hydrochloride |
| InChI | InChI=1S/C8H17NO2.ClH/c1-8(2,3)6(9)5-7(10)11-4;/h6H,5,9H2,1-4H3;1H |
| InChI Key | VWWAVWOVOOLSTC-UHFFFAOYSA-N |
| MDL Number | MFCD18711643 |
| Molecular Formula | C8H18ClNO2 |
| Molecular Weight | 195.687 |
| SMILES | CC(C)(C)C(N)CC(OC)=O.[H]Cl |
| Synonyms | METHYL 3-AMINO-4,4-DIMETHYLPENTANATE HCL,
1272758-12-9,
Methyl 3-amino-4,4-dimethylpentanoate hydrochloride,
MFCD18711643,
AKOS006315624,
AS-40291,
Methyl 3-amino-4,4-dimethylpentanate hydrochloride,
(S)-Methyl 3-amino-4,4-dimethylpentanoate hydrochloride,
(R)-Methyl 3-amino-4,4-dimethylpentanoate hydrochloride,
1439921-99-9,
1422051-73-7,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.687g/mol |
| Monoisotopic Mass | 195.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number