2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride
TL;DR: 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride (CAS 73401-50-0) is a chemical compound with molecular formula C9H16Cl3NO and molecular weight 259.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-methoxybut-2-yn-1-amine;hydrochloride
Also Known As: 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride, N,N-Bis(2-chloroethyl)-4-methoxy-2-butyn-1-amine hydrochloride, N,N-bis(2-chloroethyl)-4-methoxybut-2-yn-1-amine hydrochloride, N,N-Bis(2-chloroethyl)-4-methoxybut-2-yn-1-amine--hydrogen chloride (1/1), RefChem:258103
| Molecular Formula | C9H16Cl3NO |
|---|---|
| Molecular Weight | 259.03 g/mol |
| LogP | 1.8376 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.02975 |
| Heavy Atoms | 14 |
| Complexity | 161.17534 |
Chemical Identifiers
| CAS Number | 73401-50-0 |
|---|---|
| SMILES | COCC#CCN(CCCl)CCCl.Cl |
Product Overview
2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride (CAS 73401-50-0), with molecular formula C9H16Cl3NO and molecular weight 259.03 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-methoxybut-2-yn-1-amine;hydrochloride.
Chemical Property Profile of 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride
Property Insights of 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride
The XLogP value of 1.8376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride. With a topological polar surface area (TPSA) of 12.47 Ų, 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride has 0 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-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride?
The CAS number of 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride is 73401-50-0.
What is the molecular formula of 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride?
The molecular formula of 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride is C9H16Cl3NO.
What is the molecular weight of 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride?
The molecular weight of 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride is 259.03 g/mol.
Where can I buy 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride?
You can request a quote for 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.