| CAS Number | 21419-25-0 |
| Catalog Number | AG01AHN9(AGN-PC-00MF3B) |
| Chemical Name | 1-Amino-3-methylbutan-2-one hydrochloride |
| IUPAC Name | 1-amino-3-methylbutan-2-one;hydrochloride |
| InChI | InChI=1S/C5H11NO.ClH/c1-4(2)5(7)3-6;/h4H,3,6H2,1-2H3;1H |
| InChI Key | INSIHEPGWOLTHR-UHFFFAOYSA-N |
| MDL Number | MFCD18785537 |
| Molecular Formula | C5H12ClNO |
| Molecular Weight | 137.6079 |
| SMILES | C(=O)(C(C)C)CN.Cl |
| Synonyms | 1-amino-3-methylbutan-2-one hydrochloride,
21419-25-0,
1-amino-3-methyl-2-butanone monohydrochloride,
2-Butanone, 1-amino-3-methyl-, hydrochloride,
SCHEMBL2826838,
CTK0J7574,
DTXSID40539602,
isobutyrylmethylamine hydrochloride,
INSIHEPGWOLTHR-UHFFFAOYSA-N,
AKOS026743746,
NE16353,
4-amino-2-methyl-3-butanone hydrochloride,
EN300-75248,
1-Amino-3-methylbutan-2-one--hydrogen chloride (1/1),
F8888-3807,
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| Complexity | 68.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.607g/mol |
| Monoisotopic Mass | 137.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^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