tert-Butyl carbazate
TL;DR: tert-Butyl carbazate (CAS 870-46-2) is a chemical compound with molecular formula C5H12N2O2 and molecular weight 132.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-aminocarbamate
Also Known As: tert-Butyl carbazate, tert-Butyl hydrazinecarboxylate, t-Butyl carbazate, tert-Butylcarbazate, Boc-hydrazide
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12N2O2 |
| Molecular Weight | 132.08987 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.08987 Da |
| Heavy Atoms | 9 |
| Complexity | 106.0 |
| Purity | 98% |
| Melting Point | 39.0 |
| Boiling Point | 63.0 |
| SMILES | CC(C)(C)OC(=O)NN |
| InChIKey | DKACXUFSLUYRFU-UHFFFAOYSA-N |
Product Description
Applications: tert-Butyl carbazate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at 98%. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, tert-Butyl carbazate (CAS 870-46-2) has the molecular formula C5H12N2O2 and a molecular weight of 132.09 g/mol. Synonyms include tert-Butyl carbazate and tert-Butyl hydrazinecarboxylate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
Chemical Property Profile of tert-Butyl carbazate
Property Insights of tert-Butyl carbazate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl carbazate. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl carbazate. Following Lipinski's Rule of Five, tert-Butyl carbazate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-Butyl carbazate?
The CAS number of tert-Butyl carbazate is 870-46-2.
What is the molecular formula of tert-Butyl carbazate?
The molecular formula of tert-Butyl carbazate is C5H12N2O2.
What is the molecular weight of tert-Butyl carbazate?
The molecular weight of tert-Butyl carbazate is 132.08987 g/mol.
What are the applications of tert-Butyl carbazate?
tert-Butyl carbazate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at 98%....
Where can I buy tert-Butyl carbazate?
You can request a quote for tert-Butyl carbazate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl carbazate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl carbazate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.