| CAS Number | 580198-47-6 |
| Catalog Number | AG01BRP7(AGN-PC-0OCNT1) |
| Chemical Name | methyl 3-methylbutanecarboximidate hydrochloride |
| IUPAC Name | methyl 4-methylpentanimidate;hydrochloride |
| InChI | InChI=1S/C7H15NO.ClH/c1-6(2)4-5-7(8)9-3;/h6,8H,4-5H2,1-3H3;1H |
| InChI Key | OYIOSQOAXAUXAY-UHFFFAOYSA-N |
| MDL Number | MFCD30535843 |
| Molecular Formula | C6H14ClNO |
| Molecular Weight | 151.6345 |
| SMILES | Cl.COC(CC(C)C)=N |
| Synonyms | 101948-24-7,
4-methyl-valerimidic acid methyl ester; hydrochloride,
Pentanimidic acid, 4-methyl-, methyl ester, hydrochloride,
ACMC-20m4y7,
SCHEMBL4521898,
CTK0G7898,
DTXSID80545368,
Methyl 4-methylpentanimidate--hydrogen chloride (1/1),
methyl 3-methylbutanecarboximidate hydrochloride,
580198-47-6,
|
| Complexity | 88.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.661g/mol |
| Monoisotopic Mass | 165.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number