Xylenediamine
TL;DR: Xylenediamine (CAS 166035-61-6) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylphenyl)methanediamine
Also Known As: Xylenediamine, Benzenedimethanamine, p-Tolylmethanediamine, (4-methylphenyl)methanediamine, starbld0033075
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12N2 |
| Molecular Weight | 136.10005 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.10005 Da |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
| SMILES | CC1=CC=C(C=C1)C(N)N |
| InChIKey | XBTRYWRVOBZSGM-UHFFFAOYSA-N |
Chemical Property Profile of Xylenediamine
Property Insights of Xylenediamine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xylenediamine. With a topological polar surface area (TPSA) of 52.0 Ų, Xylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xylenediamine 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 Xylenediamine?
The CAS number of Xylenediamine is 166035-61-6.
What is the molecular formula of Xylenediamine?
The molecular formula of Xylenediamine is C8H12N2.
What is the molecular weight of Xylenediamine?
The molecular weight of Xylenediamine is 136.10005 g/mol.
Where can I buy Xylenediamine?
You can request a quote for Xylenediamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xylenediamine?
Yes, CoreyChem provides custom synthesis services for Xylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.