tert-Butyl methylcarbamate
TL;DR: tert-Butyl methylcarbamate (CAS 16066-84-5) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-methylcarbamate
Also Known As: tert-Butyl methylcarbamate, tert-butyl N-methylcarbamate, tert-Butyl-N-methylcarbamate, Methyl-carbamic acid tert-butyl ester, N-Boc-methanamine
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 16066-84-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC |
| InChIKey | JHLVEBNWCCKSGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl methylcarbamate (CAS 16066-84-5), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: tert-butyl N-methylcarbamate.
Chemical Property Profile of tert-Butyl methylcarbamate
Property Insights of tert-Butyl methylcarbamate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl methylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, tert-Butyl methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl methylcarbamate has 1 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 methylcarbamate?
The CAS number of tert-Butyl methylcarbamate is 16066-84-5.
What is the molecular formula of tert-Butyl methylcarbamate?
The molecular formula of tert-Butyl methylcarbamate is C6H13NO2.
What is the molecular weight of tert-Butyl methylcarbamate?
The molecular weight of tert-Butyl methylcarbamate is 131.09 g/mol.
Where can I buy tert-Butyl methylcarbamate?
You can request a quote for tert-Butyl methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.