N,N-双(2-氯乙基)苄胺-N-氧化物
TL;DR: N,N-双(2-氯乙基)苄胺-N-氧化物 (CAS 99858-22-7) is a chemical compound with molecular formula C11H15Cl2NO and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-双(2-氯乙基)苄胺-N-氧化物
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine oxide
Also Known As: N,N-Bis(2-chloroethyl)benzylamine N-oxide, BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-, N-OXIDE, 4-12-00-02164 (Beilstein Handbook Reference), N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine oxide, N-Benzyl-2-chloro-N-(2-chloroethyl)ethan-1-amine N-oxide
| Molecular Formula | C11H15Cl2NO |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.05307 |
| Heavy Atoms | 15 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 99858-22-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+](CCCl)(CCCl)[O-] |
| InChIKey | UXNVTFPCZJLSOH-UHFFFAOYSA-N |
Product Overview
N,N-双(2-氯乙基)苄胺-N-氧化物 (CAS 99858-22-7), with molecular formula C11H15Cl2NO and molecular weight 247.05 g/mol. IUPAC: N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine oxide.
Chemical Property Profile of N,N-双(2-氯乙基)苄胺-N-氧化物
Property Insights of N,N-双(2-氯乙基)苄胺-N-氧化物
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-双(2-氯乙基)苄胺-N-氧化物. With a topological polar surface area (TPSA) of 18.1 Ų, N,N-双(2-氯乙基)苄胺-N-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-双(2-氯乙基)苄胺-N-氧化物 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 N,N-双(2-氯乙基)苄胺-N-氧化物?
The CAS number of N,N-双(2-氯乙基)苄胺-N-氧化物 is 99858-22-7.
What is the molecular formula of N,N-双(2-氯乙基)苄胺-N-氧化物?
The molecular formula of N,N-双(2-氯乙基)苄胺-N-氧化物 is C11H15Cl2NO.
What is the molecular weight of N,N-双(2-氯乙基)苄胺-N-氧化物?
The molecular weight of N,N-双(2-氯乙基)苄胺-N-氧化物 is 247.05 g/mol.
Where can I buy N,N-双(2-氯乙基)苄胺-N-氧化物?
You can request a quote for N,N-双(2-氯乙基)苄胺-N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-双(2-氯乙基)苄胺-N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for N,N-双(2-氯乙基)苄胺-N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.