1-Cyano-1-methylethyl butylcarbamate
TL;DR: 1-Cyano-1-methylethyl butylcarbamate (CAS 3519-61-7) is a chemical compound with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanopropan-2-yl N-butylcarbamate
Also Known As: 1-cyano-1-methylethyl butylcarbamate, 2-cyanopropan-2-yl N-butylcarbamate, Carbamic acid, butyl-, ester with 2-methyllactonitrile (7CI,8CI)
| Molecular Formula | C9H16N2O2 |
|---|---|
| Molecular Weight | 184.12 g/mol |
| LogP | 1.81488 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.12119 |
| Heavy Atoms | 13 |
| Complexity | 206.15047 |
Chemical Identifiers
| CAS Number | 3519-61-7 |
|---|---|
| SMILES | CCCCNC(=O)OC(C)(C)C#N |
Product Overview
1-Cyano-1-methylethyl butylcarbamate (CAS 3519-61-7), with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol. IUPAC: 2-cyanopropan-2-yl N-butylcarbamate.
Chemical Property Profile of 1-Cyano-1-methylethyl butylcarbamate
Property Insights of 1-Cyano-1-methylethyl butylcarbamate
The XLogP value of 1.81488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-1-methylethyl butylcarbamate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyano-1-methylethyl butylcarbamate. Following Lipinski's Rule of Five, 1-Cyano-1-methylethyl butylcarbamate has 1 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-Cyano-1-methylethyl butylcarbamate?
The CAS number of 1-Cyano-1-methylethyl butylcarbamate is 3519-61-7.
What is the molecular formula of 1-Cyano-1-methylethyl butylcarbamate?
The molecular formula of 1-Cyano-1-methylethyl butylcarbamate is C9H16N2O2.
What is the molecular weight of 1-Cyano-1-methylethyl butylcarbamate?
The molecular weight of 1-Cyano-1-methylethyl butylcarbamate is 184.12 g/mol.
Where can I buy 1-Cyano-1-methylethyl butylcarbamate?
You can request a quote for 1-Cyano-1-methylethyl butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-1-methylethyl butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-1-methylethyl butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.