N-(butylideneamino)aniline
TL;DR: N-(butylideneamino)aniline (CAS 940-54-5) is a chemical compound with molecular formula CCCC=NNC1=CC=CC=C1 and molecular weight 162.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(butylideneamino)aniline
Also Known As: N-(butylideneamino)aniline, butyraldehyde phenyl-hydrazone, Butyraldehyde, phenylhydrazone
| Molecular Formula | CCCC=NNC1=CC=CC=C1 |
|---|---|
| Molecular Weight | 162.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.11569 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 940-54-5 |
|---|---|
| SMILES | CCCC=NNC1=CC=CC=C1 |
| InChIKey | TVUBYAHAPNBNKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(butylideneamino)aniline (CAS 940-54-5), with molecular formula CCCC=NNC1=CC=CC=C1 and molecular weight 162.12 g/mol. IUPAC: N-(butylideneamino)aniline.
Chemical Property Profile of N-(butylideneamino)aniline
Property Insights of N-(butylideneamino)aniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(butylideneamino)aniline. With a topological polar surface area (TPSA) of 24.4 Ų, N-(butylideneamino)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(butylideneamino)aniline 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 N-(butylideneamino)aniline?
The CAS number of N-(butylideneamino)aniline is 940-54-5.
What is the molecular formula of N-(butylideneamino)aniline?
The molecular formula of N-(butylideneamino)aniline is CCCC=NNC1=CC=CC=C1.
What is the molecular weight of N-(butylideneamino)aniline?
The molecular weight of N-(butylideneamino)aniline is 162.12 g/mol.
Where can I buy N-(butylideneamino)aniline?
You can request a quote for N-(butylideneamino)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(butylideneamino)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(butylideneamino)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.