2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)
TL;DR: 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1) (CAS 66968-17-0) 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.
5,5,7-trimethylazepan-2-one;hydrochloride
Also Known As: Trimethylhexanone isoxime hydrochloride, 5,5,7-trimethylazepan-2-one hydrochloride, Hexahydro-5,5,7-trimethyl-2H-azepin-2-one hydrochloride, 2H-Azepin-2-one, hexahydro-5,5,7-trimethyl-, hydrochloride, 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)
| Molecular Formula | C9H18ClNO |
|---|---|
| Molecular Weight | 191.11 g/mol |
| LogP | 2.12 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.1077 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 66968-17-0 |
|---|---|
| SMILES | CC1CC(CCC(=O)N1)(C)C.Cl |
| InChIKey | ACRFJCHVXOIHLJ-UHFFFAOYSA-N |
Product Overview
2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1) (CAS 66968-17-0), with molecular formula C9H18ClNO and molecular weight 191.11 g/mol. IUPAC: 5,5,7-trimethylazepan-2-one;hydrochloride.
Chemical Property Profile of 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)
Property Insights of 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)
The XLogP value of 2.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 29.1 Ų, 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 1 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 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)?
The CAS number of 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1) is 66968-17-0.
What is the molecular formula of 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)?
The molecular formula of 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1) is C9H18ClNO.
What is the molecular weight of 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)?
The molecular weight of 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1) is 191.11 g/mol.
Where can I buy 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)?
You can request a quote for 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.