N-(4-methoxybenzyl)prop-2-yn-1-amine
TL;DR: N-(4-methoxybenzyl)prop-2-yn-1-amine (CAS 98729-72-7) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]prop-2-yn-1-amine
Also Known As: N-(4-methoxybenzyl)prop-2-yn-1-amine, N-[(4-methoxyphenyl)methyl]prop-2-yn-1-amine, (4-METHOXYBENZYL)2-PROPYN-1-YLAMINE, CHEMBRDG-BB 9071620, [(4-METHOXYPHENYL)METHYL](PROP-2-YN-1-YL)AMINE
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.418 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 283.95374 |
Chemical Identifiers
| CAS Number | 98729-72-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNCC#C |
Product Overview
N-(4-methoxybenzyl)prop-2-yn-1-amine (CAS 98729-72-7), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]prop-2-yn-1-amine.
Chemical Property Profile of N-(4-methoxybenzyl)prop-2-yn-1-amine
Property Insights of N-(4-methoxybenzyl)prop-2-yn-1-amine
The XLogP value of 1.418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methoxybenzyl)prop-2-yn-1-amine. With a topological polar surface area (TPSA) of 21.26 Ų, N-(4-methoxybenzyl)prop-2-yn-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methoxybenzyl)prop-2-yn-1-amine 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 N-(4-methoxybenzyl)prop-2-yn-1-amine?
The CAS number of N-(4-methoxybenzyl)prop-2-yn-1-amine is 98729-72-7.
What is the molecular formula of N-(4-methoxybenzyl)prop-2-yn-1-amine?
The molecular formula of N-(4-methoxybenzyl)prop-2-yn-1-amine is C11H13NO.
What is the molecular weight of N-(4-methoxybenzyl)prop-2-yn-1-amine?
The molecular weight of N-(4-methoxybenzyl)prop-2-yn-1-amine is 175.10 g/mol.
Where can I buy N-(4-methoxybenzyl)prop-2-yn-1-amine?
You can request a quote for N-(4-methoxybenzyl)prop-2-yn-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methoxybenzyl)prop-2-yn-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxybenzyl)prop-2-yn-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.