![4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile structure](/static/products/2967/29672-19-3.webp)
4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile
TL;DR: 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile (CAS 29672-19-3) is a chemical compound with molecular formula C9H15N3O2 and molecular weight 197.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-cyano-2,2-dimethylbutylidene)amino] N-methylcarbamate
Also Known As: Nitrilacarb, 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile
| Molecular Formula | C9H15N3O2 |
|---|---|
| Molecular Weight | 197.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.11642 |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 29672-19-3 |
|---|---|
| SMILES | CC(C)(CCC#N)C=NOC(=O)NC |
| InChIKey | FWISWWONCDDGEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile (CAS 29672-19-3), with molecular formula C9H15N3O2 and molecular weight 197.12 g/mol. IUPAC: [(4-cyano-2,2-dimethylbutylidene)amino] N-methylcarbamate.
Chemical Property Profile of 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile
Property Insights of 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile. Following Lipinski's Rule of Five, 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile has 1 hydrogen bond donor(s) and 4 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 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile?
The CAS number of 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile is 29672-19-3.
What is the molecular formula of 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile?
The molecular formula of 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile is C9H15N3O2.
What is the molecular weight of 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile?
The molecular weight of 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile is 197.12 g/mol.
Where can I buy 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile?
You can request a quote for 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.