2-Chloro-n-(propan-2-yl)prop-2-en-1-amine
TL;DR: 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine (CAS 64783-97-7) 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.
2-chloro-N-propan-2-ylprop-2-en-1-amine
Also Known As: N-(2-chloroallyl)-N-isopropylamine, (2-Chloro-allyl)-isopropyl-amine, 2-chloro-n-(propan-2-yl)prop-2-en-1-amine, 2-chloro-N-propan-2-ylprop-2-en-1-amine
| Molecular Formula | C6H12ClN |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.06583 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 64783-97-7 |
|---|---|
| SMILES | CC(C)NCC(=C)Cl |
| InChIKey | ZJLKECQXNCOEOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-n-(propan-2-yl)prop-2-en-1-amine (CAS 64783-97-7), with molecular formula C6H12ClN and molecular weight 133.07 g/mol. IUPAC: 2-chloro-N-propan-2-ylprop-2-en-1-amine.
Chemical Property Profile of 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine
Property Insights of 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine. With a topological polar surface area (TPSA) of 12.0 Ų, 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-n-(propan-2-yl)prop-2-en-1-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
Frequently Asked Questions
What is the CAS number of 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine?
The CAS number of 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine is 64783-97-7.
What is the molecular formula of 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine?
The molecular formula of 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine is C6H12ClN.
What is the molecular weight of 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine?
The molecular weight of 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine is 133.07 g/mol.
Where can I buy 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine?
You can request a quote for 2-Chloro-n-(propan-2-yl)prop-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 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-n-(propan-2-yl)prop-2-en-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.