二甲基脲
TL;DR: 二甲基脲 (CAS 96-31-1) 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.
二甲基脲
1,3-dimethylurea
Also Known As: 1,3-DIMETHYLUREA, N,N'-Dimethylurea, sym-Dimethylurea, Dimethylurea, Urea, N,N'-dimethyl-
| Molecular Formula | C3H8N2O |
|---|---|
| Molecular Weight | 88.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 88.06366 |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
| Melting Point | 107.8 °C |
| Boiling Point | 514 to 270.0 °C at 760 mmHg |
| Density | 1.142 |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 154 °C |
| Vapor Pressure | 0.54 [mmHg] |
Chemical Identifiers
| CAS Number | 96-31-1 |
|---|---|
| SMILES | CNC(=O)NC |
| InChIKey | MGJKQDOBUOMPEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二甲基脲 (CAS 96-31-1), with molecular formula C3H8N2O and molecular weight 88.06 g/mol. IUPAC: 1,3-dimethylurea.
Chemical Property Profile of 二甲基脲
Property Insights of 二甲基脲
The XLogP value of -0.5 indicates that 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 41.1 Ų, 二甲基脲 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲基脲 has 2 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 二甲基脲?
The CAS number of 二甲基脲 is 96-31-1.
What is the molecular formula of 二甲基脲?
The molecular formula of 二甲基脲 is C3H8N2O.
What is the molecular weight of 二甲基脲?
The molecular weight of 二甲基脲 is 88.06 g/mol.
Where can I buy 二甲基脲?
You can request a quote for 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 二甲基脲?
Yes, KEHONG BIO provides custom synthesis services for 二甲基脲 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.