Nitrosohexamethylenimine
TL;DR: Nitrosohexamethylenimine (CAS 932-83-2) is a chemical compound with molecular formula C6H12N2O and molecular weight 128.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrosoazepane
Also Known As: N-Nitrosohexamethyleneimine, 1-Nitrosoazepane, N-Nitrosohexamethylenimine, N-Nitrosoperhydroazepine, Nitrosohexamethylenimine
| Molecular Formula | C6H12N2O |
|---|---|
| Molecular Weight | 128.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.09496 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
| Vapor Pressure | 0.45 [mmHg] |
Chemical Identifiers
| CAS Number | 932-83-2 |
|---|---|
| SMILES | C1CCCN(CC1)N=O |
| InChIKey | UZMVSVHUTOAPTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitrosohexamethylenimine (CAS 932-83-2), with molecular formula C6H12N2O and molecular weight 128.09 g/mol. IUPAC: 1-nitrosoazepane.
Chemical Property Profile of Nitrosohexamethylenimine
Property Insights of Nitrosohexamethylenimine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrosohexamethylenimine. With a topological polar surface area (TPSA) of 32.7 Ų, Nitrosohexamethylenimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitrosohexamethylenimine has 0 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 Nitrosohexamethylenimine?
The CAS number of Nitrosohexamethylenimine is 932-83-2.
What is the molecular formula of Nitrosohexamethylenimine?
The molecular formula of Nitrosohexamethylenimine is C6H12N2O.
What is the molecular weight of Nitrosohexamethylenimine?
The molecular weight of Nitrosohexamethylenimine is 128.09 g/mol.
Where can I buy Nitrosohexamethylenimine?
You can request a quote for Nitrosohexamethylenimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrosohexamethylenimine?
Yes, KEHONG BIO provides custom synthesis services for Nitrosohexamethylenimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.