| CAS Number | 243857-26-3 |
| Catalog Number | AG019PSO(AGN-PC-0WNR7O) |
| Chemical Name | 2-(Aminomethyl)-3-methylbutanoic Acid Hydrochloride |
| IUPAC Name | 2-(aminomethyl)-3-methylbutanoic acid;hydrochloride |
| InChI | InChI=1S/C6H13NO2.ClH/c1-4(2)5(3-7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H |
| InChI Key | VTSGJSAOJMRTGB-UHFFFAOYSA-N |
| MDL Number | MFCD20441553 |
| Molecular Formula | C6H14ClNO2 |
| Molecular Weight | 167.6339 |
| SMILES | Cl.CC(C(C(O)=O)CN)C |
| Synonyms | 2-(aminomethyl)-3-methylbutanoic acid hydrochloride,
243857-26-3,
rac 2-Aminomethyl-3-methyl-butyric acid hydrochloride,
ACMC-20apfo,
(2R)-2-(aminomethyl)-3-methylbutanoic acid;hydrochloride,
(2S)-2-(aminomethyl)-3-methylbutanoic acid;hydrochloride,
SCHEMBL6235278,
MFCD20441553,
AKOS008153176,
MCULE-4117902081,
NE23099,
2-Aminomethyl-3-methyl-butyric acid HCl,
EN300-86355,
rac 2-Aminomethyl-3-methyl-butyric acid x HCl,
(R)-2-(Aminomethyl)-3-methylbutanoic acid hydrochloride,
(S)-2-(Aminomethyl)-3-methylbutanoic acid hydrochloride,
925704-47-8,
(S)-2-(Aminomethyl)-3-methylbutyric acid hydrochloride,
1276055-45-8,
|
| Complexity | 101 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.633g/mol |
| Monoisotopic Mass | 167.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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