N,N-Di-2-propyn-1-ylbenzenamine
TL;DR: N,N-Di-2-propyn-1-ylbenzenamine (CAS 18158-68-4) is a chemical compound with molecular formula C12H11N and molecular weight 169.08914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(prop-2-ynyl)aniline
Also Known As: N,N-Dipropargylaniline, Dipropargylphenylamine, N,N-Di-2-propynylaniline, N,N-bis(prop-2-ynyl)aniline, ANILINE, N,N-DI-2-PROPYNYL-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11N |
| Molecular Weight | 169.08914 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.08914 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | C#CCN(CC#C)C1=CC=CC=C1 |
| InChIKey | ONOQPVMGQVXXQD-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Di-2-propyn-1-ylbenzenamine
Property Insights of N,N-Di-2-propyn-1-ylbenzenamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Di-2-propyn-1-ylbenzenamine. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Di-2-propyn-1-ylbenzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Di-2-propyn-1-ylbenzenamine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N,N-Di-2-propyn-1-ylbenzenamine?
The CAS number of N,N-Di-2-propyn-1-ylbenzenamine is 18158-68-4.
What is the molecular formula of N,N-Di-2-propyn-1-ylbenzenamine?
The molecular formula of N,N-Di-2-propyn-1-ylbenzenamine is C12H11N.
What is the molecular weight of N,N-Di-2-propyn-1-ylbenzenamine?
The molecular weight of N,N-Di-2-propyn-1-ylbenzenamine is 169.08914 g/mol.
Where can I buy N,N-Di-2-propyn-1-ylbenzenamine?
You can request a quote for N,N-Di-2-propyn-1-ylbenzenamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Di-2-propyn-1-ylbenzenamine?
Yes, CoreyChem provides custom synthesis services for N,N-Di-2-propyn-1-ylbenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.