| CAS Number | 1422051-73-7 |
| Catalog Number | AG001HYN(AGN-PC-0WCYQ1) |
| Chemical Name | (R)-3-Amino-4,4-dimethyl-pentanoic acid methyl ester, HCl |
| IUPAC Name | methyl (3R)-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/t6-;/m1./s1 |
| InChI Key | VWWAVWOVOOLSTC-FYZOBXCZSA-N |
| MDL Number | MFCD12068631 |
| Molecular Formula | C8H18ClNO2 |
| Molecular Weight | 195.6870 |
| SMILES | Cl.COC(C[C@H](C(C)(C)C)N)=O |
| Synonyms | 1422051-73-7,
(R)-Methyl 3-amino-4,4-dimethylpentanate HCl,
(R)-Methyl 3-amino-4,4-dimethylpentanoate hydrochloride,
MFCD12068631,
AKOS027331240,
AS-40290,
AX8267054,
X-3036,
(R)-Methyl 3-amino-4,4-dimethylpentanate hydrochloride,
(R)-3-Amino-4,4-dimethyl-pentanoic acid methyl ester, HCl,
Pentanoic acid, 3-amino-4,4-dimethyl-, methyl ester, hydrochloride (1:1), (3R)-,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number