1-Methylpiperidine-4-carbaldehyde Hydrochloride - CAS 1107639-19-9
Catalog: |
BB076079 |
Product Name: |
1-Methylpiperidine-4-carbaldehyde Hydrochloride |
CAS: |
1107639-19-9 |
Synonyms: |
1-Methyl-4-piperidinecarbaldehyde hydrochloride; 1-methylpiperidine-4-carbaldehyde hydrochloride; 1-Methylpiperidine-4-carbaldehyde HCl; 1-methylpiperidine-4-carbaldehyde; hydrochloride |
IUPAC Name: | 1-methylpiperidine-4-carbaldehydehydrochloride |
Description: | 1-Methylpiperidine-4-carbaldehyde Hydrochloride is a useful research chemical compound. |
Molecular Weight: | 127.18 |
Molecular Formula: | C7H13NO·HCl |
Canonical SMILES: | CN1CCC(CC1)C=O.Cl |
InChI: | InChI=1S/C7H13NO.ClH/c1-8-4-2-7(6-9)3-5-8/h6-7H,2-5H2,1H31H |
InChI Key: | QCHQCMHQQJBOJO-UHFFFAOYSA-N |
References: | Miyazaki, K., et al. From PCT Int. Appl. (2015), WO 2015190587 A1 20151217. |
Complexity: | 95.1 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0763918 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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