3-氨基苯基二甲基氨基甲酸酯
TL;DR: 3-氨基苯基二甲基氨基甲酸酯 (CAS 19962-04-0) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基苯基二甲基氨基甲酸酯
(3-aminophenyl) N,N-dimethylcarbamate
Also Known As: 3-AMINOPHENYL DIMETHYLCARBAMATE, (3-aminophenyl) N,N-dimethylcarbamate, Neostigmine Impurity 4, 3-aminophenyl N,N-dimethylcarbamate, Maybridge4_003931
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 19962-04-0 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC=CC(=C1)N |
| InChIKey | LKEQZFMJKLCAEA-UHFFFAOYSA-N |
Product Overview
3-氨基苯基二甲基氨基甲酸酯 (CAS 19962-04-0), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: (3-aminophenyl) N,N-dimethylcarbamate.
Chemical Property Profile of 3-氨基苯基二甲基氨基甲酸酯
Property Insights of 3-氨基苯基二甲基氨基甲酸酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基苯基二甲基氨基甲酸酯. With a topological polar surface area (TPSA) of 55.6 Ų, 3-氨基苯基二甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氨基苯基二甲基氨基甲酸酯 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 3-氨基苯基二甲基氨基甲酸酯?
The CAS number of 3-氨基苯基二甲基氨基甲酸酯 is 19962-04-0.
What is the molecular formula of 3-氨基苯基二甲基氨基甲酸酯?
The molecular formula of 3-氨基苯基二甲基氨基甲酸酯 is C9H12N2O2.
What is the molecular weight of 3-氨基苯基二甲基氨基甲酸酯?
The molecular weight of 3-氨基苯基二甲基氨基甲酸酯 is 180.09 g/mol.
Where can I buy 3-氨基苯基二甲基氨基甲酸酯?
You can request a quote for 3-氨基苯基二甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基苯基二甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基苯基二甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.