![N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine structure](/static/products/104/1049978-69-9.png)
N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine
TL;DR: N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine (CAS 1049978-69-9) is a chemical compound with molecular formula C11H14ClN and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-benzyl-3-chlorobut-2-en-1-amine
Also Known As: Benzyl-(3-chloro-but-2-enyl)-amine, BAS 02912917, (E)-N-benzyl-3-chlorobut-2-en-1-amine, (2E)-N-Benzyl-3-chlorobut-2-en-1-amine, BB 0260039
| Molecular Formula | C11H14ClN |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 2.9188 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.08148 |
| Heavy Atoms | 13 |
| Complexity | 262.6786 |
Chemical Identifiers
| CAS Number | 1049978-69-9 |
|---|---|
| SMILES | C/C(=C\CNCC1=CC=CC=C1)/Cl |
Product Overview
N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine (CAS 1049978-69-9), with molecular formula C11H14ClN and molecular weight 195.08 g/mol. IUPAC: (E)-N-benzyl-3-chlorobut-2-en-1-amine.
Chemical Property Profile of N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine
Property Insights of N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine
The XLogP value of 2.9188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine. With a topological polar surface area (TPSA) of 12.03 Ų, N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine has 1 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-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine?
The CAS number of N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine is 1049978-69-9.
What is the molecular formula of N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine?
The molecular formula of N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine is C11H14ClN.
What is the molecular weight of N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine?
The molecular weight of N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine is 195.08 g/mol.
Where can I buy N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine?
You can request a quote for N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-[(2E)-3-Chloro-2-buten-1-yl]benzenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.