| CAS Number | 102014-64-2 |
| Catalog Number | AG0006C7(AGN-PC-068B7N) |
| Chemical Name | Ethyl 3-aminobutanoate hydrochloride |
| IUPAC Name | ethyl 3-aminobutanoate;hydrochloride |
| InChI | InChI=1S/C6H13NO2.ClH/c1-3-9-6(8)4-5(2)7;/h5H,3-4,7H2,1-2H3;1H |
| InChI Key | ISVBSAIYXBEVSI-UHFFFAOYSA-N |
| MDL Number | MFCD22056243 |
| Molecular Formula | C6H14ClNO2 |
| Molecular Weight | 167.6339 |
| SMILES | Cl.CCOC(CC(N)C)=O |
| Synonyms | ethyl 3-aminobutanoate hydrochloride,
102014-64-2,
SCHEMBL852518,
ISVBSAIYXBEVSI-UHFFFAOYSA-N,
ethyl 3-aminobutyrate hydrochloride,
AKOS026742645,
AK685377,
Butanoic acid, 3-amino-, ethyl ester, hydrochloride (1:1),
(R)-Ethyl 3-aminobutanoate hydrochloride,
(S)-Ethyl 3-aminobutanoate hydrochloride,
146293-15-4,
187876-47-7,
|
| Complexity | 93.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number