TL;DR: 5H-Dibenz(b,f)azepine-5-propanamine, N,N,beta-trimethyl-, monohydrochloride (CAS 1159-80-4) is a chemical compound with molecular formula C20H25ClN2 and molecular weight 328.17062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzo[b][1]benzazepin-11-yl-N,N,2-trimethylpropan-1-amine;hydrochloride
Also Known As: Menthol acetoacetate, N,N,beta-Trimethyl-5H-dibenz(b,f)azepine-5-propanamine monohydrochloride, 5H-Dibenz(b,f)azepine-5-propanamine, N,N,beta-trimethyl-, monohydrochloride, 1-(Methyl-2 dimethylamino-3 propyl)-5 dibenzo(b,f) 5H azepine chlorhydrate [French], 1-(Methyl-2 dimethylamino-3 propyl)-5 dibenzo(b,f) 5H azepine chlorhydrate
| Molecular Formula | C20H25ClN2 |
| Molecular Weight | 328.17062 g/mol |
| XLogP | 4.93 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.17062 Da |
| Heavy Atoms | 23 |
| Complexity | 350.0 |
| SMILES | CC(CN1C2=CC=CC=C2C=CC3=CC=CC=C31)CN(C)C.Cl |
| InChIKey | XDWNTULJQAJLQV-UHFFFAOYSA-N |
The XLogP value of 4.93 indicates that 5H-Dibenz(b,f)azepine-5-propanamine, N,N,beta-trimethyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 5H-Dibenz(b,f)azepine-5-propanamine, N,N,beta-trimethyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Dibenz(b,f)azepine-5-propanamine, N,N,beta-trimethyl-, monohydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-Dibenz(b,f)azepine-5-propanamine, N,N,beta-trimethyl-, monohydrochloride is 1159-80-4.
The molecular formula of 5H-Dibenz(b,f)azepine-5-propanamine, N,N,beta-trimethyl-, monohydrochloride is C20H25ClN2.
The molecular weight of 5H-Dibenz(b,f)azepine-5-propanamine, N,N,beta-trimethyl-, monohydrochloride is 328.17062 g/mol.
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