Nitralamine
TL;DR: Nitralamine (CAS 71872-90-7) is a chemical compound with molecular formula C10H13ClN2O2S and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-chlorophenyl)-2-nitroethyl]sulfanylethanamine
Also Known As: Nitralamine, Nitralamine HCl, Nitralamine hydrochloride, Nitralamine hydrochloride [USAN], Ethanamine, 2-((1-(2-chlorophenyl)-2-nitroethyl)thio)-
| Molecular Formula | C10H13ClN2O2S |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.03864 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 71872-90-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C[N+](=O)[O-])SCCN)Cl |
| InChIKey | OQTNUAMHNGNKJC-UHFFFAOYSA-N |
Product Overview
Nitralamine (CAS 71872-90-7), with molecular formula C10H13ClN2O2S and molecular weight 260.04 g/mol. IUPAC: 2-[1-(2-chlorophenyl)-2-nitroethyl]sulfanylethanamine.
Chemical Property Profile of Nitralamine
Property Insights of Nitralamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitralamine. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitralamine. Following Lipinski's Rule of Five, Nitralamine has 1 hydrogen bond donor(s) and 4 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 Nitralamine?
The CAS number of Nitralamine is 71872-90-7.
What is the molecular formula of Nitralamine?
The molecular formula of Nitralamine is C10H13ClN2O2S.
What is the molecular weight of Nitralamine?
The molecular weight of Nitralamine is 260.04 g/mol.
Where can I buy Nitralamine?
You can request a quote for Nitralamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitralamine?
Yes, KEHONG BIO provides custom synthesis services for Nitralamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.