3-chloro-N,N,2-trimethylprop-2-en-1-amine
TL;DR: 3-chloro-N,N,2-trimethylprop-2-en-1-amine (CAS 16471-29-7) is a chemical compound with molecular formula C6H12ClN and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N,2-trimethylprop-2-en-1-amine
Also Known As: 3-chloro-n,n,2-trimethylprop-2-en-1-amine, (E)-3-chloro-N,N,2-trimethylprop-2-en-1-amine
| Molecular Formula | C6H12ClN |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.06583 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 16471-29-7 |
|---|---|
| SMILES | CC(=CCl)CN(C)C |
| InChIKey | OEADZERSOZSOBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-chloro-N,N,2-trimethylprop-2-en-1-amine (CAS 16471-29-7), with molecular formula C6H12ClN and molecular weight 133.07 g/mol. IUPAC: 3-chloro-N,N,2-trimethylprop-2-en-1-amine.
Chemical Property Profile of 3-chloro-N,N,2-trimethylprop-2-en-1-amine
Property Insights of 3-chloro-N,N,2-trimethylprop-2-en-1-amine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N,N,2-trimethylprop-2-en-1-amine. With a topological polar surface area (TPSA) of 3.2 Ų, 3-chloro-N,N,2-trimethylprop-2-en-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N,N,2-trimethylprop-2-en-1-amine 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 3-chloro-N,N,2-trimethylprop-2-en-1-amine?
The CAS number of 3-chloro-N,N,2-trimethylprop-2-en-1-amine is 16471-29-7.
What is the molecular formula of 3-chloro-N,N,2-trimethylprop-2-en-1-amine?
The molecular formula of 3-chloro-N,N,2-trimethylprop-2-en-1-amine is C6H12ClN.
What is the molecular weight of 3-chloro-N,N,2-trimethylprop-2-en-1-amine?
The molecular weight of 3-chloro-N,N,2-trimethylprop-2-en-1-amine is 133.07 g/mol.
Where can I buy 3-chloro-N,N,2-trimethylprop-2-en-1-amine?
You can request a quote for 3-chloro-N,N,2-trimethylprop-2-en-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N,N,2-trimethylprop-2-en-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N,N,2-trimethylprop-2-en-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.