tert-butyl N-(2-cyanoethyl)carbamate
TL;DR: tert-butyl N-(2-cyanoethyl)carbamate (CAS 53588-95-7) is a chemical compound with molecular formula C8H14N2O2 and molecular weight 170.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-cyanoethyl)carbamate
Also Known As: tert-butyl N-(2-cyanoethyl)carbamate, N-Boc-2-Cyano-ethylamine, tert-Butyl (2-cyanoethyl)carbamate, 3-Aminopropanenitrile, tert-Butyl(2-cyanoethyl)carbamate
| Molecular Formula | C8H14N2O2 |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 1.42478 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.10553 |
| Heavy Atoms | 12 |
| Complexity | 188.215 |
Chemical Identifiers
| CAS Number | 53588-95-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC#N |
Product Overview
tert-butyl N-(2-cyanoethyl)carbamate (CAS 53588-95-7), with molecular formula C8H14N2O2 and molecular weight 170.11 g/mol. IUPAC: tert-butyl N-(2-cyanoethyl)carbamate.
Chemical Property Profile of tert-butyl N-(2-cyanoethyl)carbamate
Property Insights of tert-butyl N-(2-cyanoethyl)carbamate
The XLogP value of 1.42478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(2-cyanoethyl)carbamate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(2-cyanoethyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(2-cyanoethyl)carbamate has 1 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 tert-butyl N-(2-cyanoethyl)carbamate?
The CAS number of tert-butyl N-(2-cyanoethyl)carbamate is 53588-95-7.
What is the molecular formula of tert-butyl N-(2-cyanoethyl)carbamate?
The molecular formula of tert-butyl N-(2-cyanoethyl)carbamate is C8H14N2O2.
What is the molecular weight of tert-butyl N-(2-cyanoethyl)carbamate?
The molecular weight of tert-butyl N-(2-cyanoethyl)carbamate is 170.11 g/mol.
Where can I buy tert-butyl N-(2-cyanoethyl)carbamate?
You can request a quote for tert-butyl N-(2-cyanoethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(2-cyanoethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(2-cyanoethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.