Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride
TL;DR: Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride (CAS 73728-63-9) is a chemical compound with molecular formula C14H19ClN2O3 and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-5-nitrophenyl)methyl-bis(prop-2-enyl)azanium chloride
Also Known As: N,N-Diallyl-2-methoxy-5-nitrobenzylammonium chloride, N,N-Diallyl-2-methoxy-5-nitrobenzylamine hydrochloride, BENZYLAMINE, N,N-DIALLYL-2-METHOXY-5-NITRO-, HYDROCHLORIDE, (2-methoxy-5-nitrophenyl)methyl-bis(prop-2-enyl)azanium chloride, Benzenemethanamine, 2-methoxy-5-nitro-N,N-di-2-propenyl-, monohydrochloride
| Molecular Formula | C14H19ClN2O3 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | -1.64 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.10843 |
| Heavy Atoms | 20 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 73728-63-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])C[NH+](CC=C)CC=C.[Cl-] |
| InChIKey | AKZRZEVKASNIBJ-UHFFFAOYSA-N |
Product Overview
Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride (CAS 73728-63-9), with molecular formula C14H19ClN2O3 and molecular weight 298.11 g/mol. IUPAC: (2-methoxy-5-nitrophenyl)methyl-bis(prop-2-enyl)azanium chloride.
Chemical Property Profile of Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride
Property Insights of Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride
The XLogP value of -1.64 indicates that Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.5 Ų, Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride?
The CAS number of Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride is 73728-63-9.
What is the molecular formula of Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride?
The molecular formula of Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride is C14H19ClN2O3.
What is the molecular weight of Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride?
The molecular weight of Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride is 298.11 g/mol.
Where can I buy Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride?
You can request a quote for Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N,N-diallyl-2-methoxy-5-nitro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.