2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride
TL;DR: 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride (CAS 42036-65-7) is a chemical compound with molecular formula C9H18ClNO and molecular weight 191.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride
Also Known As: 2-((Dimethylamino)methyl)cyclohexanone hydrochloride, 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride, Tramadol related compound B, zlchem 956, Tramadol Impurity E HCl
| Molecular Formula | C9H18ClNO |
|---|---|
| Molecular Weight | 191.11 g/mol |
| LogP | 1.7291 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.1077 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 42036-65-7 |
|---|---|
| SMILES | CN(C)CC1CCCCC1=O.Cl |
| InChIKey | CLVHTSWMNNSUSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride (CAS 42036-65-7), with molecular formula C9H18ClNO and molecular weight 191.11 g/mol. IUPAC: 2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride.
Chemical Property Profile of 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride
Property Insights of 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride
The XLogP value of 1.7291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride. With a topological polar surface area (TPSA) of 20.3 Ų, 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride?
The CAS number of 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride is 42036-65-7.
What is the molecular formula of 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride?
The molecular formula of 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride is C9H18ClNO.
What is the molecular weight of 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride?
The molecular weight of 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride is 191.11 g/mol.
Where can I buy 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride?
You can request a quote for 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.