Ethanamine, 2-chloro-N-(phenylmethylene)-
TL;DR: Ethanamine, 2-chloro-N-(phenylmethylene)- (CAS 70509-19-2) is a chemical compound with molecular formula C9H10ClN and molecular weight 167.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-1-phenylmethanimine
Also Known As: N- benzenemethanimine, N-(2-Chloroethyl)benzenemethanimine, 1-chloro-4-phenyl-3-aza-3-butene, Ethanamine, 2-chloro-N-(phenylmethylene)-, 2-Chloro-N-(phenylmethylene)ethanamine
| Molecular Formula | C9H10ClN |
|---|---|
| Molecular Weight | 167.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.05017 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 70509-19-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NCCCl |
| InChIKey | PIGFJMFDGAIAKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanamine, 2-chloro-N-(phenylmethylene)- (CAS 70509-19-2), with molecular formula C9H10ClN and molecular weight 167.05 g/mol. IUPAC: N-(2-chloroethyl)-1-phenylmethanimine.
Chemical Property Profile of Ethanamine, 2-chloro-N-(phenylmethylene)-
Property Insights of Ethanamine, 2-chloro-N-(phenylmethylene)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanamine, 2-chloro-N-(phenylmethylene)-. With a topological polar surface area (TPSA) of 12.4 Ų, Ethanamine, 2-chloro-N-(phenylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanamine, 2-chloro-N-(phenylmethylene)- 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 Ethanamine, 2-chloro-N-(phenylmethylene)-?
The CAS number of Ethanamine, 2-chloro-N-(phenylmethylene)- is 70509-19-2.
What is the molecular formula of Ethanamine, 2-chloro-N-(phenylmethylene)-?
The molecular formula of Ethanamine, 2-chloro-N-(phenylmethylene)- is C9H10ClN.
What is the molecular weight of Ethanamine, 2-chloro-N-(phenylmethylene)-?
The molecular weight of Ethanamine, 2-chloro-N-(phenylmethylene)- is 167.05 g/mol.
Where can I buy Ethanamine, 2-chloro-N-(phenylmethylene)-?
You can request a quote for Ethanamine, 2-chloro-N-(phenylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanamine, 2-chloro-N-(phenylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanamine, 2-chloro-N-(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.