2,6-Dimethyl-naphthalen-1-ylamine
TL;DR: 2,6-Dimethyl-naphthalen-1-ylamine (CAS 116530-20-2) is a chemical compound with molecular formula C12H13N and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylnaphthalen-1-amine
Also Known As: 2,6-dimethylnaphthalen-1-amine, 2,6-Dimethyl-naphthalen-1-ylamine, 2,6-dimethyl-[1]naphthylamine, 2,6-Dimethyl-1-naphthalenamine, BAS 00792160
| Molecular Formula | C12H13N |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 116530-20-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(C=C2)C)N |
| InChIKey | QZTOWNGXBZSHHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethyl-naphthalen-1-ylamine (CAS 116530-20-2), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: 2,6-dimethylnaphthalen-1-amine.
Chemical Property Profile of 2,6-Dimethyl-naphthalen-1-ylamine
Property Insights of 2,6-Dimethyl-naphthalen-1-ylamine
The XLogP value of 3.2 indicates that 2,6-Dimethyl-naphthalen-1-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2,6-Dimethyl-naphthalen-1-ylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-naphthalen-1-ylamine has 1 hydrogen bond donor(s) and 1 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 2,6-Dimethyl-naphthalen-1-ylamine?
The CAS number of 2,6-Dimethyl-naphthalen-1-ylamine is 116530-20-2.
What is the molecular formula of 2,6-Dimethyl-naphthalen-1-ylamine?
The molecular formula of 2,6-Dimethyl-naphthalen-1-ylamine is C12H13N.
What is the molecular weight of 2,6-Dimethyl-naphthalen-1-ylamine?
The molecular weight of 2,6-Dimethyl-naphthalen-1-ylamine is 171.10 g/mol.
Where can I buy 2,6-Dimethyl-naphthalen-1-ylamine?
You can request a quote for 2,6-Dimethyl-naphthalen-1-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-naphthalen-1-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-naphthalen-1-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.