3-氯-N,N-双(2-氯乙基)-1-丁胺
TL;DR: 3-氯-N,N-双(2-氯乙基)-1-丁胺 (CAS 64037-58-7) is a chemical compound with molecular formula C8H16Cl3N and molecular weight 231.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-N,N-双(2-氯乙基)-1-丁胺
3-chloro-N,N-bis(2-chloroethyl)butan-1-amine
Also Known As: 3-Chloro-N,N-bis(2-chloroethyl)-1-butanamine, 3-chloro-N,N-bis(2-chloroethyl)butan-1-amine, (3-CHLOROBUTYL)BIS(2-CHLOROETHYL)AMINE, N,N-Bis(2-chloroethyl)-3-chloro-1-butanamine, 1-Butanamine, 3-chloro-N,N-bis(2-chloroethyl)-
| Molecular Formula | C8H16Cl3N |
|---|---|
| Molecular Weight | 231.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 231.03484 |
| Heavy Atoms | 12 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 64037-58-7 |
|---|---|
| SMILES | CC(CCN(CCCl)CCCl)Cl |
| InChIKey | YHCKFYDONCNCPE-UHFFFAOYSA-N |
Product Overview
3-氯-N,N-双(2-氯乙基)-1-丁胺 (CAS 64037-58-7), with molecular formula C8H16Cl3N and molecular weight 231.03 g/mol. IUPAC: 3-chloro-N,N-bis(2-chloroethyl)butan-1-amine.
Chemical Property Profile of 3-氯-N,N-双(2-氯乙基)-1-丁胺
Property Insights of 3-氯-N,N-双(2-氯乙基)-1-丁胺
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-N,N-双(2-氯乙基)-1-丁胺. With a topological polar surface area (TPSA) of 3.2 Ų, 3-氯-N,N-双(2-氯乙基)-1-丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-N,N-双(2-氯乙基)-1-丁胺 has 0 hydrogen bond donor(s) and 1 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 3-氯-N,N-双(2-氯乙基)-1-丁胺?
The CAS number of 3-氯-N,N-双(2-氯乙基)-1-丁胺 is 64037-58-7.
What is the molecular formula of 3-氯-N,N-双(2-氯乙基)-1-丁胺?
The molecular formula of 3-氯-N,N-双(2-氯乙基)-1-丁胺 is C8H16Cl3N.
What is the molecular weight of 3-氯-N,N-双(2-氯乙基)-1-丁胺?
The molecular weight of 3-氯-N,N-双(2-氯乙基)-1-丁胺 is 231.03 g/mol.
Where can I buy 3-氯-N,N-双(2-氯乙基)-1-丁胺?
You can request a quote for 3-氯-N,N-双(2-氯乙基)-1-丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-N,N-双(2-氯乙基)-1-丁胺?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-N,N-双(2-氯乙基)-1-丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.