4-tert-Butoxybenzylamine
TL;DR: 4-tert-Butoxybenzylamine (CAS 84697-13-2) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
Also Known As: (4-(tert-Butoxy)phenyl)methanamine, 4-tert-Butoxybenzylamine, 4-TERT-BUTOXY-BENZYLAMINE, (4-tert-butoxyphenyl)methanamine, [4-(tert-butoxy)phenyl]methanamine
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 2.3226 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 258.4139 |
Chemical Identifiers
| CAS Number | 84697-13-2 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=C(C=C1)CN |
Product Overview
4-tert-Butoxybenzylamine (CAS 84697-13-2), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: [4-[(2-methylpropan-2-yl)oxy]phenyl]methanamine.
Chemical Property Profile of 4-tert-Butoxybenzylamine
Property Insights of 4-tert-Butoxybenzylamine
The XLogP value of 2.3226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butoxybenzylamine. With a topological polar surface area (TPSA) of 35.25 Ų, 4-tert-Butoxybenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butoxybenzylamine 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 4-tert-Butoxybenzylamine?
The CAS number of 4-tert-Butoxybenzylamine is 84697-13-2.
What is the molecular formula of 4-tert-Butoxybenzylamine?
The molecular formula of 4-tert-Butoxybenzylamine is C11H17NO.
What is the molecular weight of 4-tert-Butoxybenzylamine?
The molecular weight of 4-tert-Butoxybenzylamine is 179.13 g/mol.
Where can I buy 4-tert-Butoxybenzylamine?
You can request a quote for 4-tert-Butoxybenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butoxybenzylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butoxybenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.