Guanidine, N-nitro-N'-(phenylmethyl)-
TL;DR: Guanidine, N-nitro-N'-(phenylmethyl)- (CAS 5415-72-5) is a chemical compound with molecular formula C8H10N4O2 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-nitroguanidine
Also Known As: 1-benzyl-3-nitroguanidine, 2-benzyl-1-nitroguanidine, 3-benzyl-1-nitroguanidine, Guanidine, 1-benzyl-3-nitro-, Guanidine, N-nitro-N'-(phenylmethyl)-
| Molecular Formula | C8H10N4O2 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.08037 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 5415-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN=C(N)N[N+](=O)[O-] |
| InChIKey | WCCBIXJPHUFQOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guanidine, N-nitro-N'-(phenylmethyl)- (CAS 5415-72-5), with molecular formula C8H10N4O2 and molecular weight 194.08 g/mol. IUPAC: 2-benzyl-1-nitroguanidine.
Chemical Property Profile of Guanidine, N-nitro-N'-(phenylmethyl)-
Property Insights of Guanidine, N-nitro-N'-(phenylmethyl)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, N-nitro-N'-(phenylmethyl)-. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, N-nitro-N'-(phenylmethyl)-. Following Lipinski's Rule of Five, Guanidine, N-nitro-N'-(phenylmethyl)- 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 Guanidine, N-nitro-N'-(phenylmethyl)-?
The CAS number of Guanidine, N-nitro-N'-(phenylmethyl)- is 5415-72-5.
What is the molecular formula of Guanidine, N-nitro-N'-(phenylmethyl)-?
The molecular formula of Guanidine, N-nitro-N'-(phenylmethyl)- is C8H10N4O2.
What is the molecular weight of Guanidine, N-nitro-N'-(phenylmethyl)-?
The molecular weight of Guanidine, N-nitro-N'-(phenylmethyl)- is 194.08 g/mol.
Where can I buy Guanidine, N-nitro-N'-(phenylmethyl)-?
You can request a quote for Guanidine, N-nitro-N'-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, N-nitro-N'-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, N-nitro-N'-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.