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1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone
TL;DR: 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone (CAS 59603-44-0) is a chemical compound with molecular formula C11H19NO and molecular weight 181.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[tert-butyl(prop-2-ynyl)amino]butan-2-one
Also Known As: ZERO/008306, 1-[tert-butyl(prop-2-ynyl)amino]butan-2-one, 1-[tert-Butyl(prop-2-yn-1-yl)amino]butan-2-one, 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone
| Molecular Formula | C11H19NO |
|---|---|
| Molecular Weight | 181.15 g/mol |
| LogP | 1.6992 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.14667 |
| Heavy Atoms | 13 |
| Complexity | 207.11061 |
Chemical Identifiers
| CAS Number | 59603-44-0 |
|---|---|
| SMILES | CCC(=O)CN(CC#C)C(C)(C)C |
Product Overview
1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone (CAS 59603-44-0), with molecular formula C11H19NO and molecular weight 181.15 g/mol. IUPAC: 1-[tert-butyl(prop-2-ynyl)amino]butan-2-one.
Chemical Property Profile of 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone
Property Insights of 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone
The XLogP value of 1.6992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone. With a topological polar surface area (TPSA) of 20.31 Ų, 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone 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-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone?
The CAS number of 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone is 59603-44-0.
What is the molecular formula of 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone?
The molecular formula of 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone is C11H19NO.
What is the molecular weight of 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone?
The molecular weight of 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone is 181.15 g/mol.
Where can I buy 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone?
You can request a quote for 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1,1-Dimethylethyl)-2-propyn-1-ylamino]-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.