| CAS Number | 41172-98-9 |
| Catalog Number | AG01C1UE(AGN-PC-0NJDLG) |
| Chemical Name | 1-aminopentan-2-one hydrochloride |
| IUPAC Name | 1-aminopentan-2-one;hydrochloride |
| InChI | InChI=1S/C5H11NO.ClH/c1-2-3-5(7)4-6;/h2-4,6H2,1H3;1H |
| InChI Key | BHILHYVLWQOQQK-UHFFFAOYSA-N |
| MDL Number | MFCD22049250 |
| Molecular Formula | C5H12ClNO |
| Molecular Weight | 137.6079 |
| SMILES | Cl.CCCC(CN)=O |
| Synonyms | 1-aminopentan-2-one hydrochloride,
41172-98-9,
SCHEMBL1128657,
1-amino-2-pentanone hydrochloride,
BHILHYVLWQOQQK-UHFFFAOYSA-N,
1-amino-pentan-2-one hydrochloride,
Z2301438387,
|
| Complexity | 61.1 |
| 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 | 3 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number