(1,1-Dimethylethyl)urea
TL;DR: (1,1-Dimethylethyl)urea (CAS 1118-12-3) is a chemical compound with molecular formula C5H12N2O and molecular weight 116.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butylurea
Also Known As: tert-Butylurea, N-tert-Butylurea, (1,1-Dimethylethyl)urea, 1-tert-Butylurea, UREA, tert-BUTYL-
| Molecular Formula | C5H12N2O |
|---|---|
| Molecular Weight | 116.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.09496 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 1118-12-3 |
|---|---|
| SMILES | CC(C)(C)NC(=O)N |
| InChIKey | JLEHSYHLHLHPAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1-Dimethylethyl)urea (CAS 1118-12-3), with molecular formula C5H12N2O and molecular weight 116.09 g/mol. IUPAC: tert-butylurea.
Chemical Property Profile of (1,1-Dimethylethyl)urea
Property Insights of (1,1-Dimethylethyl)urea
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1-Dimethylethyl)urea. With a topological polar surface area (TPSA) of 55.1 Ų, (1,1-Dimethylethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1-Dimethylethyl)urea 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 (1,1-Dimethylethyl)urea?
The CAS number of (1,1-Dimethylethyl)urea is 1118-12-3.
What is the molecular formula of (1,1-Dimethylethyl)urea?
The molecular formula of (1,1-Dimethylethyl)urea is C5H12N2O.
What is the molecular weight of (1,1-Dimethylethyl)urea?
The molecular weight of (1,1-Dimethylethyl)urea is 116.09 g/mol.
Where can I buy (1,1-Dimethylethyl)urea?
You can request a quote for (1,1-Dimethylethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1-Dimethylethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for (1,1-Dimethylethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.