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N-[3-(phenylamino)allylidene]aniline monohydrochloride
TL;DR: N-[3-(phenylamino)allylidene]aniline monohydrochloride (CAS 28140-60-5) is a chemical compound with molecular formula C15H15ClN2 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-phenyliminoprop-1-enyl)aniline;hydrochloride
Also Known As: Malondianil hydrochloride, N-(3-(Phenylamino)allylidene)aniline hydrochloride, N-(3-phenyliminoprop-1-enyl)aniline;hydrochloride, Benzenamine, N-[3-(phenylamino)-2-propenylidene]-, hydrochloride, N-(3-(Phenylamino)allylidene)aniline monohydrochloride
| Molecular Formula | C15H15ClN2 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 4.44 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.09238 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 28140-60-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=CC=NC2=CC=CC=C2.Cl |
| InChIKey | PBKBURVPAHHUIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[3-(phenylamino)allylidene]aniline monohydrochloride (CAS 28140-60-5), with molecular formula C15H15ClN2 and molecular weight 258.09 g/mol. IUPAC: N-(3-phenyliminoprop-1-enyl)aniline;hydrochloride.
Chemical Property Profile of N-[3-(phenylamino)allylidene]aniline monohydrochloride
Property Insights of N-[3-(phenylamino)allylidene]aniline monohydrochloride
The XLogP value of 4.44 indicates that N-[3-(phenylamino)allylidene]aniline monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, N-[3-(phenylamino)allylidene]aniline monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(phenylamino)allylidene]aniline monohydrochloride has 2 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-[3-(phenylamino)allylidene]aniline monohydrochloride?
The CAS number of N-[3-(phenylamino)allylidene]aniline monohydrochloride is 28140-60-5.
What is the molecular formula of N-[3-(phenylamino)allylidene]aniline monohydrochloride?
The molecular formula of N-[3-(phenylamino)allylidene]aniline monohydrochloride is C15H15ClN2.
What is the molecular weight of N-[3-(phenylamino)allylidene]aniline monohydrochloride?
The molecular weight of N-[3-(phenylamino)allylidene]aniline monohydrochloride is 258.09 g/mol.
Where can I buy N-[3-(phenylamino)allylidene]aniline monohydrochloride?
You can request a quote for N-[3-(phenylamino)allylidene]aniline monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(phenylamino)allylidene]aniline monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(phenylamino)allylidene]aniline monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.