| CAS Number | 313994-32-0 |
| Catalog Number | AG00C66S(AGN-PC-0O8TZK) |
| Chemical Name | H-D-ABU-OTBU HCL |
| IUPAC Name | tert-butyl (2R)-2-aminobutanoate;hydrochloride |
| InChI | InChI=1S/C8H17NO2.ClH/c1-5-6(9)7(10)11-8(2,3)4;/h6H,5,9H2,1-4H3;1H/t6-;/m1./s1 |
| InChI Key | OEPKETQBSXWOBJ-FYZOBXCZSA-N |
| MDL Number | MFCD08275809 |
| Molecular Formula | C8H17NO2 |
| Molecular Weight | 159.2261 |
| SMILES | O(C(=O)[C@@H](CC)N)C(C)(C)C |
| Synonyms | H-D-Abu-Otbu HCl,
313994-32-0,
D-2-Aminobutyric acid tert-butyl ester hydrochloride,
H-D-Abu-OtBu . HCl,
tert-butyl (2R)-2-aminobutanoate hydrochloride,
SCHEMBL1951786,
(R)-tert-Butyl 2-aminobutanoate,
OEPKETQBSXWOBJ-FYZOBXCZSA-N,
7091AH,
H-D-Abu-OtBu hydrochloride, AldrichCPR,
AS-10482,
(R)-tert-butyl 2-aminobutanoate hydrochloride,
A-8045,
H-D-ABU-OTBUHCL,
C8H17NO2.HCl,
(2r)-2-amino-butanoic acid 1,1-dimethylethyl ester hcl,
959750-74-4,
|
| 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
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Certificate of Analysis
Lot Number