4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride
TL;DR: 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride (CAS 55709-93-8) is a chemical compound with molecular formula C17H27ClN2O and molecular weight 310.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-diethyl-1,3-benzoxazin-2-yl)methyl-diethylazanium chloride
Also Known As: 2-Diethylaminomethyl-4-diethyl-4H-1,3-benzoxazine hydrochloride, N,N,4,4-Tetraethyl-4H-1,3-benzoxazine-2-methanamine hydrochloride, (4,4-diethyl-1,3-benzoxazin-2-yl)methyl-diethylazanium chloride, 4H-1,3-BENZOXAZINE-2-METHANAMINE, N,N,4,4-TETRAETHYL-, MONOHYDROCHLORIDE, RefChem:297043
| Molecular Formula | C17H27ClN2O |
|---|---|
| Molecular Weight | 310.18 g/mol |
| LogP | -0.58 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.18118 |
| Heavy Atoms | 21 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 55709-93-8 |
|---|---|
| SMILES | CCC1(C2=CC=CC=C2OC(=N1)C[NH+](CC)CC)CC.[Cl-] |
| InChIKey | CDXVQAGFMZHBOE-UHFFFAOYSA-N |
Product Overview
4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride (CAS 55709-93-8), with molecular formula C17H27ClN2O and molecular weight 310.18 g/mol. IUPAC: (4,4-diethyl-1,3-benzoxazin-2-yl)methyl-diethylazanium chloride.
Chemical Property Profile of 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride
Property Insights of 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride
The XLogP value of -0.58 indicates that 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.0 Ų, 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride has 1 hydrogen bond donor(s) and 3 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 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride?
The CAS number of 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride is 55709-93-8.
What is the molecular formula of 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride?
The molecular formula of 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride is C17H27ClN2O.
What is the molecular weight of 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride?
The molecular weight of 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride is 310.18 g/mol.
Where can I buy 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride?
You can request a quote for 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Benzoxazine-2-methanamine, N,N,4,4-tetraethyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.