N1-Phenyl-1,3-benzenediamine
TL;DR: N1-Phenyl-1,3-benzenediamine (CAS 90774-69-9) is a chemical compound with molecular formula C12H12N2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-phenylbenzene-1,3-diamine
Also Known As: N1-Phenylbenzene-1,3-diamine, n-(m-aminophenyl)aniline, N-Phenyl-benzene-1,3-diamine, N- aniline, N-phenylbenzene-1,3-diamine
| Molecular Formula | C12H12N2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.10005 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 90774-69-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=CC(=C2)N |
| InChIKey | VJTZHXQAZLGBHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-Phenyl-1,3-benzenediamine (CAS 90774-69-9), with molecular formula C12H12N2 and molecular weight 184.10 g/mol. IUPAC: 3-N-phenylbenzene-1,3-diamine.
Chemical Property Profile of N1-Phenyl-1,3-benzenediamine
Property Insights of N1-Phenyl-1,3-benzenediamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-Phenyl-1,3-benzenediamine. With a topological polar surface area (TPSA) of 38.1 Ų, N1-Phenyl-1,3-benzenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-Phenyl-1,3-benzenediamine 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 N1-Phenyl-1,3-benzenediamine?
The CAS number of N1-Phenyl-1,3-benzenediamine is 90774-69-9.
What is the molecular formula of N1-Phenyl-1,3-benzenediamine?
The molecular formula of N1-Phenyl-1,3-benzenediamine is C12H12N2.
What is the molecular weight of N1-Phenyl-1,3-benzenediamine?
The molecular weight of N1-Phenyl-1,3-benzenediamine is 184.10 g/mol.
Where can I buy N1-Phenyl-1,3-benzenediamine?
You can request a quote for N1-Phenyl-1,3-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-Phenyl-1,3-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N1-Phenyl-1,3-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.