1,4-Naphthalenediamine
TL;DR: 1,4-Naphthalenediamine (CAS 2243-61-0) is a chemical compound with molecular formula C10H10N2 and molecular weight 158.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
naphthalene-1,4-diamine
Also Known As: Naphthalene-1,4-diamine, 1,4-Diaminonaphthalene, 1,4-Naphthalenediamine, 1,4-Naphthylenediamine, 1,4-Naphthalene diamine
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.0844 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.0844 Da |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
| Melting Point | 248 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2N)N |
| InChIKey | OKBVMLGZPNDWJK-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Naphthalenediamine
Property Insights of 1,4-Naphthalenediamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenediamine. With a topological polar surface area (TPSA) of 52.0 Ų, 1,4-Naphthalenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenediamine 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 1,4-Naphthalenediamine?
The CAS number of 1,4-Naphthalenediamine is 2243-61-0.
What is the molecular formula of 1,4-Naphthalenediamine?
The molecular formula of 1,4-Naphthalenediamine is C10H10N2.
What is the molecular weight of 1,4-Naphthalenediamine?
The molecular weight of 1,4-Naphthalenediamine is 158.0844 g/mol.
Where can I buy 1,4-Naphthalenediamine?
You can request a quote for 1,4-Naphthalenediamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Naphthalenediamine?
Yes, CoreyChem provides custom synthesis services for 1,4-Naphthalenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.