1-Heptanamine
TL;DR: 1-Heptanamine (CAS 111-68-2) is a chemical compound with molecular formula C7H17N and molecular weight 115.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptan-1-amine
Also Known As: Heptylamine, 1-Aminoheptane, heptan-1-amine, 1-Heptanamine, N-HEPTYLAMINE
| Molecular Formula | C7H17N |
|---|---|
| Molecular Weight | 115.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 115.1361 |
| Heavy Atoms | 8 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 111-68-2 |
|---|---|
| SMILES | CCCCCCCN |
| InChIKey | WJYIASZWHGOTOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Heptanamine (CAS 111-68-2), with molecular formula C7H17N and molecular weight 115.14 g/mol. IUPAC: heptan-1-amine.
Chemical Property Profile of 1-Heptanamine
Property Insights of 1-Heptanamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Heptanamine. With a topological polar surface area (TPSA) of 26.0 Ų, 1-Heptanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptanamine has 1 hydrogen bond donor(s) and 1 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-Heptanamine?
The CAS number of 1-Heptanamine is 111-68-2.
What is the molecular formula of 1-Heptanamine?
The molecular formula of 1-Heptanamine is C7H17N.
What is the molecular weight of 1-Heptanamine?
The molecular weight of 1-Heptanamine is 115.14 g/mol.
Where can I buy 1-Heptanamine?
You can request a quote for 1-Heptanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptanamine?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.