(3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine
TL;DR: (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine (CAS 1053055-98-3) is a chemical compound with molecular formula C12H16ClN and molecular weight 209.09712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-chloro-N-(1-phenylethyl)but-2-en-1-amine
Also Known As: BAS 05422223, (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine, ((2E)-3-chlorobut-2-enyl)(phenylethyl)amine, (2E)-3-Chloro-N-(1-phenylethyl)-2-buten-1-amine, (E)-3-chloro-N-(1-phenylethyl)but-2-en-1-amine
Technical Specifications
| Molecular Formula | C12H16ClN |
| Molecular Weight | 209.09712 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.09712 Da |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
| SMILES | CC(C1=CC=CC=C1)NC/C=C(\C)/Cl |
| InChIKey | KLLJRHWVXBUIJY-CSKARUKUSA-N |
Chemical Property Profile of (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine
Property Insights of (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine
The XLogP value of 3.0 indicates that (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine 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
What is the CAS number of (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine?
The CAS number of (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine is 1053055-98-3.
What is the molecular formula of (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine?
The molecular formula of (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine is C12H16ClN.
What is the molecular weight of (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine?
The molecular weight of (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine is 209.09712 g/mol.
Where can I buy (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine?
You can request a quote for (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine?
Yes, CoreyChem provides custom synthesis services for (3-Chloro-but-2-enyl)-(1-phenyl-ethyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.