3-Hydroxy-N-phenylaniline
TL;DR: 3-Hydroxy-N-phenylaniline (CAS 101-18-8) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-anilinophenol
Also Known As: 3-Hydroxydiphenylamine, 3-(Phenylamino)phenol, 3-Anilinophenol, m-Anilinophenol, Phenol, 3-(phenylamino)-
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.08406 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.08406 Da |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
| Melting Point | 178 to 180 °F (NTP, 1992) |
| Boiling Point | 644 °F at 760 mmHg (NTP, 1992) |
| Solubility | less than 1 mg/mL at 72.5 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)NC2=CC(=CC=C2)O |
| InChIKey | NDACNGSDAFKTGE-UHFFFAOYSA-N |
Product Description
Applications: 3-Hydroxy-N-phenylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 3-Hydroxy-N-phenylaniline (CAS 101-18-8) has the molecular formula C12H11NO and a molecular weight of 185.08 g/mol. Reported properties include a solubility: less than 1 mg/mL at 72.5 °F (NTP, 1992). Synonyms include 3-Hydroxydiphenylamine and 3-(Phenylamino)phenol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Hydroxy-N-phenylaniline
Property Insights of 3-Hydroxy-N-phenylaniline
The XLogP value of 3.1 indicates that 3-Hydroxy-N-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 3-Hydroxy-N-phenylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-N-phenylaniline 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
What is the CAS number of 3-Hydroxy-N-phenylaniline?
The CAS number of 3-Hydroxy-N-phenylaniline is 101-18-8.
What is the molecular formula of 3-Hydroxy-N-phenylaniline?
The molecular formula of 3-Hydroxy-N-phenylaniline is C12H11NO.
What is the molecular weight of 3-Hydroxy-N-phenylaniline?
The molecular weight of 3-Hydroxy-N-phenylaniline is 185.08406 g/mol.
What are the applications of 3-Hydroxy-N-phenylaniline?
3-Hydroxy-N-phenylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 3-Hydroxy-N-phenylaniline?
You can request a quote for 3-Hydroxy-N-phenylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-N-phenylaniline?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-N-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.