N-benzyl-N'-tert-butylmethanediimine
TL;DR: N-benzyl-N'-tert-butylmethanediimine (CAS 1205-86-3) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-N'-tert-butylmethanediimine
Also Known As: N-benzyl-N'-tert-butylmethanediimine, N-Benzyl-N -tert-butylcarbodiimide, N'-benzyl-N-tert-butyl-methanediimine, 1-(1,1-dimethylethyl)-3-benzylcarbodiimide, benzyl[(tert-butylimino)methylidene]amine
Technical Specifications
| Molecular Formula | C12H16N2 |
| Molecular Weight | 188.13135 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.13135 Da |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
| SMILES | CC(C)(C)N=C=NCC1=CC=CC=C1 |
| InChIKey | POUYWWHIIXFOFL-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-N'-tert-butylmethanediimine
Property Insights of N-benzyl-N'-tert-butylmethanediimine
The XLogP value of 3.6 indicates that N-benzyl-N'-tert-butylmethanediimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.7 Ų, N-benzyl-N'-tert-butylmethanediimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N'-tert-butylmethanediimine has 0 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 N-benzyl-N'-tert-butylmethanediimine?
The CAS number of N-benzyl-N'-tert-butylmethanediimine is 1205-86-3.
What is the molecular formula of N-benzyl-N'-tert-butylmethanediimine?
The molecular formula of N-benzyl-N'-tert-butylmethanediimine is C12H16N2.
What is the molecular weight of N-benzyl-N'-tert-butylmethanediimine?
The molecular weight of N-benzyl-N'-tert-butylmethanediimine is 188.13135 g/mol.
Where can I buy N-benzyl-N'-tert-butylmethanediimine?
You can request a quote for N-benzyl-N'-tert-butylmethanediimine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-N'-tert-butylmethanediimine?
Yes, CoreyChem provides custom synthesis services for N-benzyl-N'-tert-butylmethanediimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.