N-aminomethylcarbamic acid tert-butyl ester
TL;DR: N-aminomethylcarbamic acid tert-butyl ester (CAS 73017-97-7) is a chemical compound with molecular formula C6H14N2O2 and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(aminomethyl)carbamate
Also Known As: N-Boc-methanediamine, tert-butyl N-(aminomethyl)carbamate, N-Aminomethylcarbamic acid tert-butyl ester, tert-butyl (aminomethyl)carbamate, tert-butyl(aminomethyl)carbamate
| Molecular Formula | C6H14N2O2 |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.10553 |
| Heavy Atoms | 10 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 73017-97-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCN |
| InChIKey | RXTKSYUIDWDWTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-aminomethylcarbamic acid tert-butyl ester (CAS 73017-97-7), with molecular formula C6H14N2O2 and molecular weight 146.11 g/mol. IUPAC: tert-butyl N-(aminomethyl)carbamate.
Chemical Property Profile of N-aminomethylcarbamic acid tert-butyl ester
Property Insights of N-aminomethylcarbamic acid tert-butyl ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-aminomethylcarbamic acid tert-butyl ester. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-aminomethylcarbamic acid tert-butyl ester. Following Lipinski's Rule of Five, N-aminomethylcarbamic acid tert-butyl ester 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
Frequently Asked Questions
What is the CAS number of N-aminomethylcarbamic acid tert-butyl ester?
The CAS number of N-aminomethylcarbamic acid tert-butyl ester is 73017-97-7.
What is the molecular formula of N-aminomethylcarbamic acid tert-butyl ester?
The molecular formula of N-aminomethylcarbamic acid tert-butyl ester is C6H14N2O2.
What is the molecular weight of N-aminomethylcarbamic acid tert-butyl ester?
The molecular weight of N-aminomethylcarbamic acid tert-butyl ester is 146.11 g/mol.
Where can I buy N-aminomethylcarbamic acid tert-butyl ester?
You can request a quote for N-aminomethylcarbamic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-aminomethylcarbamic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-aminomethylcarbamic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.