N-(1-Methylpropyl)-N'-nitroguanidine
TL;DR: N-(1-Methylpropyl)-N'-nitroguanidine (CAS 35089-67-9) is a chemical compound with molecular formula C5H12N4O2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butan-2-yl-1-nitroguanidine
Also Known As: 1-butan-2-yl-1-nitroguanidine, 2-butan-2-yl-1-nitroguanidine, N-(1-Methylpropyl)-N'-nitroguanidine, N-Butan-2-yl-N'-nitroguanidine, N-(Butan-2-yl)-N'-nitroguanidine
| Molecular Formula | C5H12N4O2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.09602 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 35089-67-9 |
|---|---|
| SMILES | CCC(C)N=C(N)N[N+](=O)[O-] |
| InChIKey | BOAXQVQUDGCBPJ-UHFFFAOYSA-N |
Product Overview
N-(1-Methylpropyl)-N'-nitroguanidine (CAS 35089-67-9), with molecular formula C5H12N4O2 and molecular weight 160.10 g/mol. IUPAC: 2-butan-2-yl-1-nitroguanidine.
Chemical Property Profile of N-(1-Methylpropyl)-N'-nitroguanidine
Property Insights of N-(1-Methylpropyl)-N'-nitroguanidine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methylpropyl)-N'-nitroguanidine. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Methylpropyl)-N'-nitroguanidine. Following Lipinski's Rule of Five, N-(1-Methylpropyl)-N'-nitroguanidine 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 N-(1-Methylpropyl)-N'-nitroguanidine?
The CAS number of N-(1-Methylpropyl)-N'-nitroguanidine is 35089-67-9.
What is the molecular formula of N-(1-Methylpropyl)-N'-nitroguanidine?
The molecular formula of N-(1-Methylpropyl)-N'-nitroguanidine is C5H12N4O2.
What is the molecular weight of N-(1-Methylpropyl)-N'-nitroguanidine?
The molecular weight of N-(1-Methylpropyl)-N'-nitroguanidine is 160.10 g/mol.
Where can I buy N-(1-Methylpropyl)-N'-nitroguanidine?
You can request a quote for N-(1-Methylpropyl)-N'-nitroguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Methylpropyl)-N'-nitroguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Methylpropyl)-N'-nitroguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.