Nitroguanil
TL;DR: Nitroguanil (CAS 51-58-1) is a chemical compound with molecular formula C8H10ClN5O3 and molecular weight 259.0472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(diaminomethylidene)-3-(4-nitrophenyl)urea;hydrochloride
Also Known As: NITROGUANIL, 1-p-Nitrophenyl-3-amidinourea hydrochloride, 3-(p-Nitrophenyl)-1-amidinourea hydrochloride, 3-Amidino-1-p-nitrophenylurea hydrochloride, T 72
Technical Specifications
| Molecular Formula | C8H10ClN5O3 |
| Molecular Weight | 259.0472 g/mol |
| XLogP | 0.82 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0472 Da |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
| SMILES | C1=CC(=CC=C1NC(=O)N=C(N)N)[N+](=O)[O-].Cl |
| InChIKey | DPAWTAYKXUVQSN-UHFFFAOYSA-N |
Product Description
Applications: Nitroguanil is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Nitroguanil (CAS 51-58-1) has the molecular formula C8H10ClN5O3 and a molecular weight of 259.05 g/mol. Synonyms include NITROGUANIL and 1-p-Nitrophenyl-3-amidinourea hydrochloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Nitroguanil
Property Insights of Nitroguanil
The XLogP value of 0.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitroguanil. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitroguanil. Following Lipinski's Rule of Five, Nitroguanil has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nitroguanil?
The CAS number of Nitroguanil is 51-58-1.
What is the molecular formula of Nitroguanil?
The molecular formula of Nitroguanil is C8H10ClN5O3.
What is the molecular weight of Nitroguanil?
The molecular weight of Nitroguanil is 259.0472 g/mol.
What are the applications of Nitroguanil?
Nitroguanil is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Nitroguanil?
You can request a quote for Nitroguanil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitroguanil?
Yes, CoreyChem provides custom synthesis services for Nitroguanil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.