Heptanal--aniline (1/1)
TL;DR: Heptanal--aniline (1/1) (CAS 9003-50-3) is a chemical compound with molecular formula C13H21NO and molecular weight 207.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aniline;heptanal
Also Known As: aniline;heptanal, aniline; heptanal, heptanal- aniline(1:1), Heptanal, polymer with benzenamine, Heptanal--aniline (1/1)
| Molecular Formula | C13H21NO |
|---|---|
| Molecular Weight | 207.16 g/mol |
| LogP | 3.4245 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.16231 |
| Heavy Atoms | 15 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 9003-50-3 |
|---|---|
| SMILES | CCCCCCC=O.C1=CC=C(C=C1)N |
| InChIKey | RCLNJBOMKAYJLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptanal--aniline (1/1) (CAS 9003-50-3), with molecular formula C13H21NO and molecular weight 207.16 g/mol. IUPAC: aniline;heptanal.
Chemical Property Profile of Heptanal--aniline (1/1)
Property Insights of Heptanal--aniline (1/1)
The XLogP value of 3.4245 indicates that Heptanal--aniline (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, Heptanal--aniline (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanal--aniline (1/1) has 1 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 Heptanal--aniline (1/1)?
The CAS number of Heptanal--aniline (1/1) is 9003-50-3.
What is the molecular formula of Heptanal--aniline (1/1)?
The molecular formula of Heptanal--aniline (1/1) is C13H21NO.
What is the molecular weight of Heptanal--aniline (1/1)?
The molecular weight of Heptanal--aniline (1/1) is 207.16 g/mol.
Where can I buy Heptanal--aniline (1/1)?
You can request a quote for Heptanal--aniline (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanal--aniline (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Heptanal--aniline (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.