tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
TL;DR: tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate (CAS 1187929-50-5) is a chemical compound with molecular formula C13H20N2O2 and molecular weight 236.15248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
Also Known As: Tert-butyl 3-(aminomethyl)benzylcarbamate, tert-Butyl N-[3-(aminomethyl)benzyl]carbamate, N-BOC-m-xylylenediamine, Tert-butyl N-[[3-(aminomethyl)phenyl]methyl]carbamate, 3-(BOC-AMINOMETHYL)-BENZYLAMINE
Technical Specifications
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.15248 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.15248 Da |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
| SMILES | CC(C)(C)OC(=O)NCC1=CC=CC(=C1)CN |
| InChIKey | GQAUPTTUSSLXPS-UHFFFAOYSA-N |
Chemical Property Profile of tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
Property Insights of tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate 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
What is the CAS number of tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate?
The CAS number of tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate is 1187929-50-5.
What is the molecular formula of tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate?
The molecular formula of tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate is C13H20N2O2.
What is the molecular weight of tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate?
The molecular weight of tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate is 236.15248 g/mol.
Where can I buy tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate?
You can request a quote for tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate?
Yes, CoreyChem provides custom synthesis services for tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.