N-Boc-diethanolamine
TL;DR: N-Boc-diethanolamine (CAS 103898-11-9) is a chemical compound with molecular formula C9H19NO4 and molecular weight 205.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N,N-bis(2-hydroxyethyl)carbamate
Also Known As: N-Boc-diethanolamine, tert-Butyl bis(2-hydroxyethyl)carbamate, Boc-diethanolamine, tert-Butyl N,N-bis(2-hydroxyethyl)carbamate, 1-Boc-diethanolamine
| Molecular Formula | C9H19NO4 |
|---|---|
| Molecular Weight | 205.13 g/mol |
| LogP | 0.2081 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.13141 |
| Heavy Atoms | 14 |
| Complexity | 170.14099 |
Chemical Identifiers
| CAS Number | 103898-11-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(CCO)CCO |
Product Overview
N-Boc-diethanolamine (CAS 103898-11-9), with molecular formula C9H19NO4 and molecular weight 205.13 g/mol. IUPAC: tert-butyl N,N-bis(2-hydroxyethyl)carbamate.
Chemical Property Profile of N-Boc-diethanolamine
Property Insights of N-Boc-diethanolamine
The XLogP value of 0.2081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Boc-diethanolamine. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Boc-diethanolamine. Following Lipinski's Rule of Five, N-Boc-diethanolamine has 2 hydrogen bond donor(s) and 4 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-Boc-diethanolamine?
The CAS number of N-Boc-diethanolamine is 103898-11-9.
What is the molecular formula of N-Boc-diethanolamine?
The molecular formula of N-Boc-diethanolamine is C9H19NO4.
What is the molecular weight of N-Boc-diethanolamine?
The molecular weight of N-Boc-diethanolamine is 205.13 g/mol.
Where can I buy N-Boc-diethanolamine?
You can request a quote for N-Boc-diethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-diethanolamine?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-diethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.