![4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline structure](/static/products/3497/34972-41-3.webp)
4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline
TL;DR: 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline (CAS 34972-41-3) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N,N-bis(oxiran-2-ylmethyl)aniline
Also Known As: 4-chloro-n,n-bis(oxiran-2-ylmethyl)aniline, 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline, 2-Oxiranemethanamine,n-(4-chlorophenyl)-n-(2-oxiranylmethyl)-
| Molecular Formula | C12H14ClNO2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.0713 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 34972-41-3 |
|---|---|
| SMILES | C1C(O1)CN(CC2CO2)C3=CC=C(C=C3)Cl |
| InChIKey | CEGOCWZGIDQKJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline (CAS 34972-41-3), with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol. IUPAC: 4-chloro-N,N-bis(oxiran-2-ylmethyl)aniline.
Chemical Property Profile of 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline
Property Insights of 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline. With a topological polar surface area (TPSA) of 28.3 Ų, 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline has 0 hydrogen bond donor(s) and 3 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 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline?
The CAS number of 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline is 34972-41-3.
What is the molecular formula of 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline?
The molecular formula of 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline is C12H14ClNO2.
What is the molecular weight of 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline?
The molecular weight of 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline is 239.07 g/mol.
Where can I buy 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline?
You can request a quote for 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.