tert-Butyl 3-(Dimethylamino)acrylate
TL;DR: tert-Butyl 3-(Dimethylamino)acrylate (CAS 818-00-8) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(dimethylamino)prop-2-enoate
Also Known As: tert-Butyl 3-(Dimethylamino)acrylate, tert-butyl 3-(dimethylamino)prop-2-enoate, 3-(dimethylamino)-2-propenoic acid tert-butyl ester
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 818-00-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C=CN(C)C |
| InChIKey | DRZNUNSHBFDHEZ-UHFFFAOYSA-N |
Product Overview
tert-Butyl 3-(Dimethylamino)acrylate (CAS 818-00-8), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: tert-butyl 3-(dimethylamino)prop-2-enoate.
Chemical Property Profile of tert-Butyl 3-(Dimethylamino)acrylate
Property Insights of tert-Butyl 3-(Dimethylamino)acrylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 3-(Dimethylamino)acrylate. With a topological polar surface area (TPSA) of 29.5 Ų, tert-Butyl 3-(Dimethylamino)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 3-(Dimethylamino)acrylate has 0 hydrogen bond donor(s) and 3 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 tert-Butyl 3-(Dimethylamino)acrylate?
The CAS number of tert-Butyl 3-(Dimethylamino)acrylate is 818-00-8.
What is the molecular formula of tert-Butyl 3-(Dimethylamino)acrylate?
The molecular formula of tert-Butyl 3-(Dimethylamino)acrylate is C9H17NO2.
What is the molecular weight of tert-Butyl 3-(Dimethylamino)acrylate?
The molecular weight of tert-Butyl 3-(Dimethylamino)acrylate is 171.13 g/mol.
Where can I buy tert-Butyl 3-(Dimethylamino)acrylate?
You can request a quote for tert-Butyl 3-(Dimethylamino)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 3-(Dimethylamino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 3-(Dimethylamino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.