2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride
TL;DR: 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride (CAS 1242-74-6) is a chemical compound with molecular formula C22H34ClNO2 and molecular weight 379.2278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate;hydrochloride
Also Known As: 3-((Diethylamino)methyl)-2-bornanol benzoate hydrochloride, 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride, 3-[(diethylamino)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl benzoate hydrochloride(1:1), [2-(diethylaminomethyl)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] benzoate hydrochloride, 3-[(Diethylamino)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl benzoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C22H34ClNO2 |
| Molecular Weight | 379.2278 g/mol |
| XLogP | 5.05 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.2278 Da |
| Heavy Atoms | 26 |
| Complexity | 478.0 |
| SMILES | CCN(CC)CC1C2CCC(C1OC(=O)C3=CC=CC=C3)(C2(C)C)C.Cl |
| InChIKey | OONCJFZCLMPOQJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride
Property Insights of 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride
The XLogP value of 5.05 indicates that 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride?
The CAS number of 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride is 1242-74-6.
What is the molecular formula of 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride?
The molecular formula of 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride is C22H34ClNO2.
What is the molecular weight of 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride?
The molecular weight of 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride is 379.2278 g/mol.
Where can I buy 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride?
You can request a quote for 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-Bornanol, 3-((diethylamino)methyl)-, benzoate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.