| CAS Number | 1228450-23-4 |
| Catalog Number | AG00HH1D(AGN-PC-0WG3QO) |
| Chemical Name | 5-Methylazepan-4-one hydrochloride |
| IUPAC Name | 5-methylazepan-4-one;hydrochloride |
| InChI | InChI=1S/C7H13NO.ClH/c1-6-2-4-8-5-3-7(6)9;/h6,8H,2-5H2,1H3;1H |
| InChI Key | HWEPWXKHORTTJJ-UHFFFAOYSA-N |
| MDL Number | MFCD27997438 |
| Molecular Formula | C7H14ClNO |
| Molecular Weight | 163.6452 |
| SMILES | CC1CCNCCC1=O.Cl |
| Synonyms | 5-Methylazepan-4-one hydrochloride,
5-Methylazepan-4-one HCl,
1228450-23-4,
SCHEMBL2376191,
HWEPWXKHORTTJJ-UHFFFAOYSA-N,
5-methylazepan-4-one;hydrochloride,
5-methyl-azepan-4-one hydrochloride,
MFCD27997438,
AKOS027255367,
CS-0038168,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.645g/mol |
| Monoisotopic Mass | 163.076g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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