N-(1,1-Dimethyl-3-oxobutyl)acrylamide
TL;DR: N-(1,1-Dimethyl-3-oxobutyl)acrylamide (CAS 2873-97-4) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide
Also Known As: DIACETONE ACRYLAMIDE, Diacetoneacrylamide, N-(2-Methyl-4-oxopentan-2-yl)acrylamide, N-(1,1-Dimethyl-3-oxobutyl)acrylamide, DAAm compound
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
| Melting Point | 135 to 57.8 °C |
| Boiling Point | 120.0 °C at 8 mmHg |
| Solubility | Very soluble (NTP, 1992) |
| Vapor Pressure | 0.000579 [mmHg] |
Chemical Identifiers
| CAS Number | 2873-97-4 |
|---|---|
| SMILES | CC(=O)CC(C)(C)NC(=O)C=C |
| InChIKey | OMNKZBIFPJNNIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,1-Dimethyl-3-oxobutyl)acrylamide (CAS 2873-97-4), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide.
Chemical Property Profile of N-(1,1-Dimethyl-3-oxobutyl)acrylamide
Property Insights of N-(1,1-Dimethyl-3-oxobutyl)acrylamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-Dimethyl-3-oxobutyl)acrylamide. With a topological polar surface area (TPSA) of 46.2 Ų, N-(1,1-Dimethyl-3-oxobutyl)acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-Dimethyl-3-oxobutyl)acrylamide has 1 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 N-(1,1-Dimethyl-3-oxobutyl)acrylamide?
The CAS number of N-(1,1-Dimethyl-3-oxobutyl)acrylamide is 2873-97-4.
What is the molecular formula of N-(1,1-Dimethyl-3-oxobutyl)acrylamide?
The molecular formula of N-(1,1-Dimethyl-3-oxobutyl)acrylamide is C9H15NO2.
What is the molecular weight of N-(1,1-Dimethyl-3-oxobutyl)acrylamide?
The molecular weight of N-(1,1-Dimethyl-3-oxobutyl)acrylamide is 169.11 g/mol.
Where can I buy N-(1,1-Dimethyl-3-oxobutyl)acrylamide?
You can request a quote for N-(1,1-Dimethyl-3-oxobutyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-Dimethyl-3-oxobutyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-Dimethyl-3-oxobutyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.