N-(Aminoiminomethyl)benzamide
TL;DR: N-(Aminoiminomethyl)benzamide (CAS 3166-00-5) is a chemical compound with molecular formula C8H9N3O and molecular weight 163.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diaminomethylidene)benzamide
Also Known As: n-carbamimidoylbenzamide, benzoylguanidine, N-AMIDINOBENZAMIDE, Benzamide, N-(aminoiminomethyl)-, Monobenzoylguanidin
| Molecular Formula | C8H9N3O |
|---|---|
| Molecular Weight | 163.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.07455 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 3166-00-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N=C(N)N |
| InChIKey | AJDQRQQNNLZLPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Aminoiminomethyl)benzamide (CAS 3166-00-5), with molecular formula C8H9N3O and molecular weight 163.07 g/mol. IUPAC: N-(diaminomethylidene)benzamide.
Chemical Property Profile of N-(Aminoiminomethyl)benzamide
Property Insights of N-(Aminoiminomethyl)benzamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Aminoiminomethyl)benzamide. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Aminoiminomethyl)benzamide. Following Lipinski's Rule of Five, N-(Aminoiminomethyl)benzamide has 2 hydrogen bond donor(s) and 1 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 N-(Aminoiminomethyl)benzamide?
The CAS number of N-(Aminoiminomethyl)benzamide is 3166-00-5.
What is the molecular formula of N-(Aminoiminomethyl)benzamide?
The molecular formula of N-(Aminoiminomethyl)benzamide is C8H9N3O.
What is the molecular weight of N-(Aminoiminomethyl)benzamide?
The molecular weight of N-(Aminoiminomethyl)benzamide is 163.07 g/mol.
Where can I buy N-(Aminoiminomethyl)benzamide?
You can request a quote for N-(Aminoiminomethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Aminoiminomethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Aminoiminomethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.