1-(Dimethylamino)-3,3-dimethylbutan-2-one
TL;DR: 1-(Dimethylamino)-3,3-dimethylbutan-2-one (CAS 56957-56-3) is a chemical compound with molecular formula C8H17NO and molecular weight 143.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)-3,3-dimethylbutan-2-one
Also Known As: 1-(dimethylamino)-3,3-dimethylbutan-2-one, 1-Dimethylamino-3,3-dimethyl-2-butanone, N,N-Dimethyl-2-oxo-3,3-dimethylbutylamine
| Molecular Formula | C8H17NO |
|---|---|
| Molecular Weight | 143.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.13101 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 56957-56-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN(C)C |
| InChIKey | DKCMBQQCVLWTAW-UHFFFAOYSA-N |
Product Overview
1-(Dimethylamino)-3,3-dimethylbutan-2-one (CAS 56957-56-3), with molecular formula C8H17NO and molecular weight 143.13 g/mol. IUPAC: 1-(dimethylamino)-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-(Dimethylamino)-3,3-dimethylbutan-2-one
Property Insights of 1-(Dimethylamino)-3,3-dimethylbutan-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Dimethylamino)-3,3-dimethylbutan-2-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(Dimethylamino)-3,3-dimethylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dimethylamino)-3,3-dimethylbutan-2-one has 0 hydrogen bond donor(s) and 2 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 1-(Dimethylamino)-3,3-dimethylbutan-2-one?
The CAS number of 1-(Dimethylamino)-3,3-dimethylbutan-2-one is 56957-56-3.
What is the molecular formula of 1-(Dimethylamino)-3,3-dimethylbutan-2-one?
The molecular formula of 1-(Dimethylamino)-3,3-dimethylbutan-2-one is C8H17NO.
What is the molecular weight of 1-(Dimethylamino)-3,3-dimethylbutan-2-one?
The molecular weight of 1-(Dimethylamino)-3,3-dimethylbutan-2-one is 143.13 g/mol.
Where can I buy 1-(Dimethylamino)-3,3-dimethylbutan-2-one?
You can request a quote for 1-(Dimethylamino)-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dimethylamino)-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dimethylamino)-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.