| CAS Number | 91462-82-7 |
| Catalog Number | AG00IGP5(AGN-PC-0OMODU) |
| Chemical Name | Butanoic acid, 2-amino-, ethyl ester, hydrochloride, (2S)- |
| IUPAC Name | ethyl (2S)-2-aminobutanoate;hydrochloride |
| InChI | InChI=1S/C6H13NO2.ClH/c1-3-5(7)6(8)9-4-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1 |
| InChI Key | SWNBPYRQCHSZSE-JEDNCBNOSA-N |
| MDL Number | MFCD11848830 |
| Molecular Formula | C6H14ClNO2 |
| Molecular Weight | 167.6339 |
| SMILES | CC[C@H](N)C(OCC)=O.[H]Cl |
| Synonyms | (S)-Ethyl 2-aminobutanoate hydrochloride,
91462-82-7,
(S)-2-Aminobutyric acid ethyl ester HCl,
SCHEMBL3188318,
SWNBPYRQCHSZSE-JEDNCBNOSA-N,
KS-00000LG3,
MFCD11848830,
AKOS015932753,
DS-12354,
(S)-2-Aminobutyric acid ethyl ester hydrochloride,
(S)-2-Amino-butyric acid ethyl ester hydrochloride,
Butanoic acid, 2-amino-, ethyl ester, hydrochloride, (2S)-,
|
| Complexity | 93.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.633g/mol |
| Monoisotopic Mass | 167.071g/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