Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride
TL;DR: Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride (CAS 7229-46-1) is a chemical compound with molecular formula C16H26ClNO and molecular weight 283.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-di(propan-2-yl)-4-prop-2-enoxyphenyl]methylazanium chloride
Also Known As: 4-Allyloxy-3,5-diisopropylbenzylamine hydrochloride, BENZYLAMINE, 4-(ALLYLOXY)-3,5-DIISOPROPYL-, HYDROCHLORIDE, [3,5-di(propan-2-yl)-4-prop-2-enoxyphenyl]methylazanium chloride, RefChem:328773
| Molecular Formula | C16H26ClNO |
|---|---|
| Molecular Weight | 283.17 g/mol |
| LogP | 0.24 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.1703 |
| Heavy Atoms | 19 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 7229-46-1 |
|---|---|
| SMILES | CC(C)C1=CC(=CC(=C1OCC=C)C(C)C)C[NH3+].[Cl-] |
| InChIKey | XUPCOMKGAZXGFK-UHFFFAOYSA-N |
Product Overview
Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride (CAS 7229-46-1), with molecular formula C16H26ClNO and molecular weight 283.17 g/mol. IUPAC: [3,5-di(propan-2-yl)-4-prop-2-enoxyphenyl]methylazanium chloride.
Chemical Property Profile of Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride
Property Insights of Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride
The XLogP value of 0.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride. With a topological polar surface area (TPSA) of 36.9 Ų, Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride has 1 hydrogen bond donor(s) and 2 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, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride?
The CAS number of Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride is 7229-46-1.
What is the molecular formula of Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride?
The molecular formula of Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride is C16H26ClNO.
What is the molecular weight of Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride?
The molecular weight of Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride is 283.17 g/mol.
Where can I buy Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride?
You can request a quote for Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.