n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine
TL;DR: n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine (CAS 82851-52-3) is a chemical compound with molecular formula C8H14ClN and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N-prop-2-enylprop-2-en-1-amine
Also Known As: 2-Deuterio-ethylchlorid, n-(2-chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine, N-(2-chloroethyl)-N-prop-2-enylprop-2-en-1-amine, 2-Propen-1-amine,n-(2-chloroethyl)-n-2-propen-1-yl-
| Molecular Formula | C8H14ClN |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 159.08148 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 82851-52-3 |
|---|---|
| SMILES | C=CCN(CCCl)CC=C |
| InChIKey | DZGKAEVQWRWBDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine (CAS 82851-52-3), with molecular formula C8H14ClN and molecular weight 159.08 g/mol. IUPAC: N-(2-chloroethyl)-N-prop-2-enylprop-2-en-1-amine.
Chemical Property Profile of n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine
Property Insights of n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine. With a topological polar surface area (TPSA) of 3.2 Ų, n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-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 n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine?
The CAS number of n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine is 82851-52-3.
What is the molecular formula of n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine?
The molecular formula of n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine is C8H14ClN.
What is the molecular weight of n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine?
The molecular weight of n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine is 159.08 g/mol.
Where can I buy n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine?
You can request a quote for n-(2-Chloroethyl)-n-(prop-2-en-1-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 n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine?
Yes, KEHONG BIO provides custom synthesis services for n-(2-Chloroethyl)-n-(prop-2-en-1-yl)prop-2-en-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.