5-Methylazepan-4-one Hydrochloride - CAS 1228450-23-4
Catalog: |
BB059949 |
Product Name: |
5-Methylazepan-4-one Hydrochloride |
CAS: |
1228450-23-4 |
Synonyms: |
5-Methylazepan-4-one hydrochloride; 5-Methylazepan-4-one HCl; 5-methylazepan-4-one; hydrochloride; 5-Methylazepan-4-onehydrochloride; 5-methyl-azepan-4-one hydrochloride |
IUPAC Name: | 5-methylazepan-4-onehydrochloride |
Description: | 5-Methylazepan-4-One Hydrochloride (cas# 1228450-23-4) is a useful research chemical. |
Molecular Weight: | 163.64 |
Molecular Formula: | C7H13NO·HCl |
Canonical SMILES: | CC1CCNCCC1=O.Cl |
InChI: | InChI=1S/C7H13NO.ClH/c1-6-2-4-8-5-3-7(6)9/h6,8H,2-5H2,1H31H |
InChI Key: | HWEPWXKHORTTJJ-UHFFFAOYSA-N |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0763918 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0763918 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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