N-Butyl-N-nitro-1-butanamine
TL;DR: N-Butyl-N-nitro-1-butanamine (CAS 4164-31-2) is a chemical compound with molecular formula C8H18N2O2 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibutylnitramide
Also Known As: N-Nitrodibutylamine, Dibutylnitramine, N,N-dibutylnitramide, Dibutylnitroamine, Nitrodibutylamine
| Molecular Formula | C8H18N2O2 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.13683 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 4164-31-2 |
|---|---|
| SMILES | CCCCN(CCCC)[N+](=O)[O-] |
| InChIKey | IBFAEPSQNZNTBK-UHFFFAOYSA-N |
Product Overview
N-Butyl-N-nitro-1-butanamine (CAS 4164-31-2), with molecular formula C8H18N2O2 and molecular weight 174.14 g/mol. IUPAC: N,N-dibutylnitramide.
Chemical Property Profile of N-Butyl-N-nitro-1-butanamine
Property Insights of N-Butyl-N-nitro-1-butanamine
The XLogP value of 3.1 indicates that N-Butyl-N-nitro-1-butanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, N-Butyl-N-nitro-1-butanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-N-nitro-1-butanamine 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-Butyl-N-nitro-1-butanamine?
The CAS number of N-Butyl-N-nitro-1-butanamine is 4164-31-2.
What is the molecular formula of N-Butyl-N-nitro-1-butanamine?
The molecular formula of N-Butyl-N-nitro-1-butanamine is C8H18N2O2.
What is the molecular weight of N-Butyl-N-nitro-1-butanamine?
The molecular weight of N-Butyl-N-nitro-1-butanamine is 174.14 g/mol.
Where can I buy N-Butyl-N-nitro-1-butanamine?
You can request a quote for N-Butyl-N-nitro-1-butanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-N-nitro-1-butanamine?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-N-nitro-1-butanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.