3-(Aminomethyl)-1-N-Boc-aniline
TL;DR: 3-(Aminomethyl)-1-N-Boc-aniline (CAS 4021-50-5) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[3-(aminomethyl)phenyl]carbamate
Also Known As: 3-(Aminomethyl)-1-N-Boc-aniline, 3-(Boc-amino)benzylamine, Tert-butyl N-[3-(aminomethyl)phenyl]carbamate, tert-butyl 3-(aminomethyl)phenylcarbamate, 3-aminomethyl-1-n-boc-aniline
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 2.4923 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 369.52667 |
Chemical Identifiers
| CAS Number | 4021-50-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=CC(=C1)CN |
Product Overview
3-(Aminomethyl)-1-N-Boc-aniline (CAS 4021-50-5), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: tert-butyl N-[3-(aminomethyl)phenyl]carbamate.
Chemical Property Profile of 3-(Aminomethyl)-1-N-Boc-aniline
Property Insights of 3-(Aminomethyl)-1-N-Boc-aniline
The XLogP value of 2.4923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aminomethyl)-1-N-Boc-aniline. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aminomethyl)-1-N-Boc-aniline. Following Lipinski's Rule of Five, 3-(Aminomethyl)-1-N-Boc-aniline 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 3-(Aminomethyl)-1-N-Boc-aniline?
The CAS number of 3-(Aminomethyl)-1-N-Boc-aniline is 4021-50-5.
What is the molecular formula of 3-(Aminomethyl)-1-N-Boc-aniline?
The molecular formula of 3-(Aminomethyl)-1-N-Boc-aniline is C12H18N2O2.
What is the molecular weight of 3-(Aminomethyl)-1-N-Boc-aniline?
The molecular weight of 3-(Aminomethyl)-1-N-Boc-aniline is 222.14 g/mol.
Where can I buy 3-(Aminomethyl)-1-N-Boc-aniline?
You can request a quote for 3-(Aminomethyl)-1-N-Boc-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminomethyl)-1-N-Boc-aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminomethyl)-1-N-Boc-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.