1,1-Diethylpropyl (aminocarbonyl)carbamate
TL;DR: 1,1-Diethylpropyl (aminocarbonyl)carbamate (CAS 120613-84-5) is a chemical compound with molecular formula C9H18N2O3 and molecular weight 202.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylpentan-3-yl N-carbamoylcarbamate
Also Known As: 3-ethylpentan-3-yl N-carbamoylcarbamate, NIOSH/EY8540380, 1,1-Diethylpropyl (aminocarbonyl)carbamate, Allophanic acid, 3-ethyl-3-pentyl ester, 3-Pentanol, 3-ethyl-, allophanate (6CI)
| Molecular Formula | C9H18N2O3 |
|---|---|
| Molecular Weight | 202.13 g/mol |
| LogP | 1.7601 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.13174 |
| Heavy Atoms | 14 |
| Complexity | 203.83794 |
Chemical Identifiers
| CAS Number | 120613-84-5 |
|---|---|
| SMILES | CCC(CC)(CC)OC(=O)NC(=O)N |
Product Overview
1,1-Diethylpropyl (aminocarbonyl)carbamate (CAS 120613-84-5), with molecular formula C9H18N2O3 and molecular weight 202.13 g/mol. IUPAC: 3-ethylpentan-3-yl N-carbamoylcarbamate.
Chemical Property Profile of 1,1-Diethylpropyl (aminocarbonyl)carbamate
Property Insights of 1,1-Diethylpropyl (aminocarbonyl)carbamate
The XLogP value of 1.7601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethylpropyl (aminocarbonyl)carbamate. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Diethylpropyl (aminocarbonyl)carbamate. Following Lipinski's Rule of Five, 1,1-Diethylpropyl (aminocarbonyl)carbamate has 2 hydrogen bond donor(s) and 3 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-Diethylpropyl (aminocarbonyl)carbamate?
The CAS number of 1,1-Diethylpropyl (aminocarbonyl)carbamate is 120613-84-5.
What is the molecular formula of 1,1-Diethylpropyl (aminocarbonyl)carbamate?
The molecular formula of 1,1-Diethylpropyl (aminocarbonyl)carbamate is C9H18N2O3.
What is the molecular weight of 1,1-Diethylpropyl (aminocarbonyl)carbamate?
The molecular weight of 1,1-Diethylpropyl (aminocarbonyl)carbamate is 202.13 g/mol.
Where can I buy 1,1-Diethylpropyl (aminocarbonyl)carbamate?
You can request a quote for 1,1-Diethylpropyl (aminocarbonyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethylpropyl (aminocarbonyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethylpropyl (aminocarbonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.