(4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1)
TL;DR: (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1) (CAS 39695-96-0) is a chemical compound with molecular formula C8H10ClN3O2 and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-amino-2-(4-nitrophenyl)ethylidene]azanium chloride
Also Known As: p-Nitrophenylacetamidine hydrochloride, 4-Nitrobenzeneethanimidamide monohydrochloride, [1-amino-2-(4-nitrophenyl)ethylidene]azanium chloride, 2-(4-nitrophenyl)ethanimidamide hydrochloride, Benzeneethanimidamide, 4-nitro-, monohydrochloride
| Molecular Formula | C8H10ClN3O2 |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | -3.74 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.04616 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 39695-96-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=[NH2+])N)[N+](=O)[O-].[Cl-] |
| InChIKey | UWOXNCVLVJFRHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1) (CAS 39695-96-0), with molecular formula C8H10ClN3O2 and molecular weight 215.05 g/mol. IUPAC: [1-amino-2-(4-nitrophenyl)ethylidene]azanium chloride.
Chemical Property Profile of (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1)
Property Insights of (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1)
The XLogP value of -3.74 indicates that (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1). Following Lipinski's Rule of Five, (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1) 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 (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1)?
The CAS number of (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1) is 39695-96-0.
What is the molecular formula of (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1)?
The molecular formula of (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1) is C8H10ClN3O2.
What is the molecular weight of (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1)?
The molecular weight of (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1) is 215.05 g/mol.
Where can I buy (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1)?
You can request a quote for (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)ethanimidamide--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.