N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺
TL;DR: N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺 (CAS 18327-42-9) is a chemical compound with molecular formula C9H16N2O and molecular weight 168.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺
N-[4-(dimethylamino)but-2-ynyl]-N-methylacetamide
Also Known As: Cumalinaldehyd, N-(4-Dimethylamino-but-2-ynyl)-N-methyl-acetamide, N-[4-(dimethylamino)but-2-ynyl]-N-methylacetamide, n-[4-(dimethylamino)but-2-yn-1-yl]-n-methylacetamide, Acetamide, N-[4-(dimethylamino)-2-butyn-1-yl]-N-methyl-
| Molecular Formula | C9H16N2O |
|---|---|
| Molecular Weight | 168.13 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.12627 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 18327-42-9 |
|---|---|
| SMILES | CC(=O)N(C)CC#CCN(C)C |
| InChIKey | FPUURHVXHFAVKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺 (CAS 18327-42-9), with molecular formula C9H16N2O and molecular weight 168.13 g/mol. IUPAC: N-[4-(dimethylamino)but-2-ynyl]-N-methylacetamide.
Chemical Property Profile of N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺
Property Insights of N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺
The XLogP value of -0.2 indicates that N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 23.6 Ų, N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺 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 N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺?
The CAS number of N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺 is 18327-42-9.
What is the molecular formula of N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺?
The molecular formula of N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺 is C9H16N2O.
What is the molecular weight of N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺?
The molecular weight of N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺 is 168.13 g/mol.
Where can I buy N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺?
You can request a quote for N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(4-二甲氨基-2-丁炔基)-N-甲基乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.