Urea, 3-(3-aminophenyl)-1,1-dimethyl-
TL;DR: Urea, 3-(3-aminophenyl)-1,1-dimethyl- (CAS 39938-79-9) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-aminophenyl)-1,1-dimethylurea
Also Known As: 1-(3-aminophenyl)-3,3-dimethylurea, 3-(3-aminophenyl)-1,1-dimethylurea, Urea, 3-(3-aminophenyl)-1,1-dimethyl-, N'-(3-Aminophenyl)-N,N-dimethylurea, 3-(3-aminophenyl)-1,1-dimethyl-urea
| Molecular Formula | C9H13N3O |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.10587 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 39938-79-9 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC=CC(=C1)N |
| InChIKey | MZCIMHCGCFGWJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Urea, 3-(3-aminophenyl)-1,1-dimethyl- (CAS 39938-79-9), with molecular formula C9H13N3O and molecular weight 179.11 g/mol. IUPAC: 3-(3-aminophenyl)-1,1-dimethylurea.
Chemical Property Profile of Urea, 3-(3-aminophenyl)-1,1-dimethyl-
Property Insights of Urea, 3-(3-aminophenyl)-1,1-dimethyl-
The XLogP value of -0.1 indicates that Urea, 3-(3-aminophenyl)-1,1-dimethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, Urea, 3-(3-aminophenyl)-1,1-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 3-(3-aminophenyl)-1,1-dimethyl- has 2 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 Urea, 3-(3-aminophenyl)-1,1-dimethyl-?
The CAS number of Urea, 3-(3-aminophenyl)-1,1-dimethyl- is 39938-79-9.
What is the molecular formula of Urea, 3-(3-aminophenyl)-1,1-dimethyl-?
The molecular formula of Urea, 3-(3-aminophenyl)-1,1-dimethyl- is C9H13N3O.
What is the molecular weight of Urea, 3-(3-aminophenyl)-1,1-dimethyl-?
The molecular weight of Urea, 3-(3-aminophenyl)-1,1-dimethyl- is 179.11 g/mol.
Where can I buy Urea, 3-(3-aminophenyl)-1,1-dimethyl-?
You can request a quote for Urea, 3-(3-aminophenyl)-1,1-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 3-(3-aminophenyl)-1,1-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 3-(3-aminophenyl)-1,1-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.