N-Nitrosodiisobutylamine
TL;DR: N-Nitrosodiisobutylamine (CAS 997-95-5) is a chemical compound with molecular formula C8H18N2O and molecular weight 158.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-methylpropyl)nitrous amide
Also Known As: N-Nitrosodiisobutylamine, Dmdpn, Diisobutylnitrosamine, Diisobutylnitrosoamine, Nitrosodiisobutylamine
| Molecular Formula | C8H18N2O |
|---|---|
| Molecular Weight | 158.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.1419 |
| Heavy Atoms | 11 |
| Complexity | 103.0 |
| Vapor Pressure | 0.04 [mmHg] |
Chemical Identifiers
| CAS Number | 997-95-5 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)N=O |
| InChIKey | XLZCLFRMPCBSDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Nitrosodiisobutylamine (CAS 997-95-5), with molecular formula C8H18N2O and molecular weight 158.14 g/mol. IUPAC: N,N-bis(2-methylpropyl)nitrous amide.
Chemical Property Profile of N-Nitrosodiisobutylamine
Property Insights of N-Nitrosodiisobutylamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosodiisobutylamine. With a topological polar surface area (TPSA) of 32.7 Ų, N-Nitrosodiisobutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitrosodiisobutylamine 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 N-Nitrosodiisobutylamine?
The CAS number of N-Nitrosodiisobutylamine is 997-95-5.
What is the molecular formula of N-Nitrosodiisobutylamine?
The molecular formula of N-Nitrosodiisobutylamine is C8H18N2O.
What is the molecular weight of N-Nitrosodiisobutylamine?
The molecular weight of N-Nitrosodiisobutylamine is 158.14 g/mol.
Where can I buy N-Nitrosodiisobutylamine?
You can request a quote for N-Nitrosodiisobutylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosodiisobutylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosodiisobutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.