3-氯-N-乙基-2-甲基-2-丙烯-1-胺
TL;DR: 3-氯-N-乙基-2-甲基-2-丙烯-1-胺 (CAS 66388-16-7) 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-氯-N-乙基-2-甲基-2-丙烯-1-胺
3-chloro-N-ethyl-2-methylprop-2-en-1-amine
Also Known As: 3-Ethylamino-1-chlor-2-methylpropen, 3-chloro-N-ethyl-2-methylprop-2-en-1-amine, 2-Propen-1-amine, 3-chloro-N-ethyl-2-methyl-
| 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 | 66388-16-7 |
|---|---|
| SMILES | CCNCC(=CCl)C |
| InChIKey | QTIDSXIXLKYRNP-UHFFFAOYSA-N |
Product Overview
3-氯-N-乙基-2-甲基-2-丙烯-1-胺 (CAS 66388-16-7), with molecular formula C6H12ClN and molecular weight 133.07 g/mol. IUPAC: 3-chloro-N-ethyl-2-methylprop-2-en-1-amine.
Chemical Property Profile of 3-氯-N-乙基-2-甲基-2-丙烯-1-胺
Property Insights of 3-氯-N-乙基-2-甲基-2-丙烯-1-胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-N-乙基-2-甲基-2-丙烯-1-胺. With a topological polar surface area (TPSA) of 12.0 Ų, 3-氯-N-乙基-2-甲基-2-丙烯-1-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-N-乙基-2-甲基-2-丙烯-1-胺 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 3-氯-N-乙基-2-甲基-2-丙烯-1-胺?
The CAS number of 3-氯-N-乙基-2-甲基-2-丙烯-1-胺 is 66388-16-7.
What is the molecular formula of 3-氯-N-乙基-2-甲基-2-丙烯-1-胺?
The molecular formula of 3-氯-N-乙基-2-甲基-2-丙烯-1-胺 is C6H12ClN.
What is the molecular weight of 3-氯-N-乙基-2-甲基-2-丙烯-1-胺?
The molecular weight of 3-氯-N-乙基-2-甲基-2-丙烯-1-胺 is 133.07 g/mol.
Where can I buy 3-氯-N-乙基-2-甲基-2-丙烯-1-胺?
You can request a quote for 3-氯-N-乙基-2-甲基-2-丙烯-1-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-N-乙基-2-甲基-2-丙烯-1-胺?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-N-乙基-2-甲基-2-丙烯-1-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.