1,1-二甲基脲
TL;DR: 1,1-二甲基脲 (CAS 598-94-7) is a chemical compound with molecular formula C3H8N2O and molecular weight 88.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-二甲基脲
1,1-dimethylurea
Also Known As: 1,1-DIMETHYLUREA, N,N-Dimethylurea, asym-Dimethylurea, Urea, dimethyl-, Urea, N,N-dimethyl-
| Molecular Formula | C3H8N2O |
|---|---|
| Molecular Weight | 88.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 88.06366 |
| Heavy Atoms | 6 |
| Complexity | 59.0 |
| Melting Point | 182 °C |
| Density | 1.255 |
| Solubility | SOL IN WATER; SLIGHTLY SOL IN ALCOHOL |
| Vapor Pressure | 0.44 [mmHg] |
Chemical Identifiers
| CAS Number | 598-94-7 |
|---|---|
| SMILES | CN(C)C(=O)N |
| InChIKey | YBBLOADPFWKNGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-二甲基脲 (CAS 598-94-7), with molecular formula C3H8N2O and molecular weight 88.06 g/mol. IUPAC: 1,1-dimethylurea.
Chemical Property Profile of 1,1-二甲基脲
Property Insights of 1,1-二甲基脲
The XLogP value of -0.8 indicates that 1,1-二甲基脲 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.3 Ų, 1,1-二甲基脲 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-二甲基脲 has 1 hydrogen bond donor(s) and 1 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 1,1-二甲基脲?
The CAS number of 1,1-二甲基脲 is 598-94-7.
What is the molecular formula of 1,1-二甲基脲?
The molecular formula of 1,1-二甲基脲 is C3H8N2O.
What is the molecular weight of 1,1-二甲基脲?
The molecular weight of 1,1-二甲基脲 is 88.06 g/mol.
Where can I buy 1,1-二甲基脲?
You can request a quote for 1,1-二甲基脲 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-二甲基脲?
Yes, KEHONG BIO provides custom synthesis services for 1,1-二甲基脲 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.