3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride
TL;DR: 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride (CAS 438-59-5) is a chemical compound with molecular formula C19H20ClN and molecular weight 297.12842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine;hydrochloride
Also Known As: N 7068 hydrochloride, Desmethyl Cyclobenzaprine Hydrochloride, Desmethylcyclobenzaprine HCl, N 7068 hydr ochloride, Ro 4-6011
Technical Specifications
| Molecular Formula | C19H20ClN |
| Molecular Weight | 297.12842 g/mol |
| XLogP | 4.63 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.12842 Da |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
| SMILES | CNCCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl |
| InChIKey | UZMPCPFDZYTEJG-UHFFFAOYSA-N |
Product Description
Applications: 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride (CAS 438-59-5) is a fine chemical with the molecular formula C19H20ClN and a molecular weight of 297.13 g/mol. Synonyms include N 7068 hydrochloride and Desmethyl Cyclobenzaprine Hydrochloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride
Property Insights of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride
The XLogP value of 4.63 indicates that 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride 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
What is the CAS number of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
The CAS number of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride is 438-59-5.
What is the molecular formula of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
The molecular formula of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride is C19H20ClN.
What is the molecular weight of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
The molecular weight of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride is 297.12842 g/mol.
What are the applications of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...
Where can I buy 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
You can request a quote for 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
Yes, CoreyChem provides custom synthesis services for 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.