![N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride structure](/static/products/104/1049698-09-0.png)
N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride
TL;DR: N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride (CAS 1049698-09-0) is a chemical compound with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine;hydrochloride
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride, N-(benzo[1,3]dioxol-5-ylmethyl)-3-phenyl-prop-2-yn-1-amine Hydrochloride, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride
| Molecular Formula | C17H16ClNO2 |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 2.9784 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.08694 |
| Heavy Atoms | 21 |
| Complexity | 646.82996 |
Chemical Identifiers
| CAS Number | 1049698-09-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCC#CC3=CC=CC=C3.Cl |
Product Overview
N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride (CAS 1049698-09-0), with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine;hydrochloride.
Chemical Property Profile of N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride
Property Insights of N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride
The XLogP value of 2.9784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride. With a topological polar surface area (TPSA) of 30.49 Ų, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride 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 N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride?
The CAS number of N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride is 1049698-09-0.
What is the molecular formula of N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride?
The molecular formula of N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride is C17H16ClNO2.
What is the molecular weight of N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride?
The molecular weight of N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride is 301.09 g/mol.
Where can I buy N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride?
You can request a quote for N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-phenylprop-2-yn-1-amine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.