1-Nitroheptane
TL;DR: 1-Nitroheptane (CAS 693-39-0) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroheptane
Also Known As: 1-Nitroheptane, nitroheptane, Heptane, 1-nitro-, 1-nitro-heptane, nitroheptan
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 693-39-0 |
|---|---|
| SMILES | CCCCCCC[N+](=O)[O-] |
| InChIKey | UZONFOPDCXAZND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitroheptane (CAS 693-39-0), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: 1-nitroheptane.
Chemical Property Profile of 1-Nitroheptane
Property Insights of 1-Nitroheptane
The XLogP value of 3.2 indicates that 1-Nitroheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitroheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitroheptane has 0 hydrogen bond donor(s) and 2 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 1-Nitroheptane?
The CAS number of 1-Nitroheptane is 693-39-0.
What is the molecular formula of 1-Nitroheptane?
The molecular formula of 1-Nitroheptane is C7H15NO2.
What is the molecular weight of 1-Nitroheptane?
The molecular weight of 1-Nitroheptane is 145.11 g/mol.
Where can I buy 1-Nitroheptane?
You can request a quote for 1-Nitroheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroheptane?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.