N-苯基二乙醇胺
TL;DR: N-苯基二乙醇胺 (CAS 120-07-0) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苯基二乙醇胺
2-[N-(2-hydroxyethyl)anilino]ethanol
Also Known As: N-Phenyldiethanolamine, Diethanolaniline, 2,2'-(Phenylimino)diethanol, N-Phenyl diethanolamine, Diethanolphenylamine
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 118.0 |
| Vapor Pressure | 0.00000202 [mmHg] |
Chemical Identifiers
| CAS Number | 120-07-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCO)CCO |
| InChIKey | OJPDDQSCZGTACX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-苯基二乙醇胺 (CAS 120-07-0), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: 2-[N-(2-hydroxyethyl)anilino]ethanol.
Chemical Property Profile of N-苯基二乙醇胺
Property Insights of N-苯基二乙醇胺
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-苯基二乙醇胺. With a topological polar surface area (TPSA) of 43.7 Ų, N-苯基二乙醇胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-苯基二乙醇胺 has 2 hydrogen bond donor(s) and 3 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-苯基二乙醇胺?
The CAS number of N-苯基二乙醇胺 is 120-07-0.
What is the molecular formula of N-苯基二乙醇胺?
The molecular formula of N-苯基二乙醇胺 is C10H15NO2.
What is the molecular weight of N-苯基二乙醇胺?
The molecular weight of N-苯基二乙醇胺 is 181.11 g/mol.
Where can I buy N-苯基二乙醇胺?
You can request a quote for N-苯基二乙醇胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-苯基二乙醇胺?
Yes, KEHONG BIO provides custom synthesis services for N-苯基二乙醇胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.