tert-Butyl azide
TL;DR: tert-Butyl azide (CAS 13686-33-4) is a chemical compound with molecular formula C4H9N3 and molecular weight 99.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-azido-2-methylpropane
Also Known As: tert-Butyl azide, 2-azido-2-methylpropane, tert-Butylazide, t-butyl azide, (tert-Butyl) azide
| Molecular Formula | C4H9N3 |
|---|---|
| Molecular Weight | 99.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 14.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 99.07965 |
| Heavy Atoms | 7 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 13686-33-4 |
|---|---|
| SMILES | CC(C)(C)N=[N+]=[N-] |
| InChIKey | POPVVAJDCXHXJR-UHFFFAOYSA-N |
Product Overview
tert-Butyl azide (CAS 13686-33-4), with molecular formula C4H9N3 and molecular weight 99.08 g/mol. IUPAC: 2-azido-2-methylpropane.
Chemical Property Profile of tert-Butyl azide
Property Insights of tert-Butyl azide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl azide. With a topological polar surface area (TPSA) of 14.4 Ų, tert-Butyl azide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl azide 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
Frequently Asked Questions
What is the CAS number of tert-Butyl azide?
The CAS number of tert-Butyl azide is 13686-33-4.
What is the molecular formula of tert-Butyl azide?
The molecular formula of tert-Butyl azide is C4H9N3.
What is the molecular weight of tert-Butyl azide?
The molecular weight of tert-Butyl azide is 99.08 g/mol.
Where can I buy tert-Butyl azide?
You can request a quote for tert-Butyl azide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl azide?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl azide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.