2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride
TL;DR: 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride (CAS 5336-70-9) is a chemical compound with molecular formula C12H22Cl3NO and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-ethoxy-4-methylpent-2-yn-1-amine;hydrochloride
Also Known As: 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride, N,N-Bis(2-chloroethyl)-4-ethoxy-4-methyl-2-pentyn-1-amine hydrochloride, n,n-bis(2-chloroethyl)-4-ethoxy-4-methylpent-2-yn-1-amine hydrochloride(1:1), N,N-bis(2-chloroethyl)-4-ethoxy-4-methylpent-2-yn-1-amine hydrochloride, N,N-Bis(2-chloroethyl)-4-ethoxy-4-methylpent-2-yn-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C12H22Cl3NO |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.0063 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.0767 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 5336-70-9 |
|---|---|
| SMILES | CCOC(C)(C)C#CCN(CCCl)CCCl.Cl |
| InChIKey | KDQCLBBSKWWYDQ-UHFFFAOYSA-N |
Product Overview
2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride (CAS 5336-70-9), with molecular formula C12H22Cl3NO and molecular weight 301.08 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-ethoxy-4-methylpent-2-yn-1-amine;hydrochloride.
Chemical Property Profile of 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride
Property Insights of 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride
The XLogP value of 3.0063 indicates that 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, 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 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride?
The CAS number of 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride is 5336-70-9.
What is the molecular formula of 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride?
The molecular formula of 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride is C12H22Cl3NO.
What is the molecular weight of 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride?
The molecular weight of 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride is 301.08 g/mol.
Where can I buy 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride?
You can request a quote for 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.