N-Nitroso-N-(4-carbomethoxybenzyl)methylamine
TL;DR: N-Nitroso-N-(4-carbomethoxybenzyl)methylamine (CAS 98736-51-7) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[methyl(nitroso)amino]methyl]benzoate
Also Known As: c(ACC-L-Phe), methyl 4-{[methyl(nitroso)amino]methyl}benzoate, N-Nitroso-N-(4-carbomethoxybenzyl)methylamine, J1.546.018K, Methyl 4-[(methylnitrosoamino)methyl]benzoate
| Molecular Formula | C10H12N2O3 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.0848 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 98736-51-7 |
|---|---|
| SMILES | CN(CC1=CC=C(C=C1)C(=O)OC)N=O |
| InChIKey | ZXALOXRONNZMDS-UHFFFAOYSA-N |
Product Overview
N-Nitroso-N-(4-carbomethoxybenzyl)methylamine (CAS 98736-51-7), with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol. IUPAC: methyl 4-[[methyl(nitroso)amino]methyl]benzoate.
Chemical Property Profile of N-Nitroso-N-(4-carbomethoxybenzyl)methylamine
Property Insights of N-Nitroso-N-(4-carbomethoxybenzyl)methylamine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-(4-carbomethoxybenzyl)methylamine. With a topological polar surface area (TPSA) of 59.0 Ų, N-Nitroso-N-(4-carbomethoxybenzyl)methylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitroso-N-(4-carbomethoxybenzyl)methylamine has 0 hydrogen bond donor(s) and 5 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-Nitroso-N-(4-carbomethoxybenzyl)methylamine?
The CAS number of N-Nitroso-N-(4-carbomethoxybenzyl)methylamine is 98736-51-7.
What is the molecular formula of N-Nitroso-N-(4-carbomethoxybenzyl)methylamine?
The molecular formula of N-Nitroso-N-(4-carbomethoxybenzyl)methylamine is C10H12N2O3.
What is the molecular weight of N-Nitroso-N-(4-carbomethoxybenzyl)methylamine?
The molecular weight of N-Nitroso-N-(4-carbomethoxybenzyl)methylamine is 208.08 g/mol.
Where can I buy N-Nitroso-N-(4-carbomethoxybenzyl)methylamine?
You can request a quote for N-Nitroso-N-(4-carbomethoxybenzyl)methylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitroso-N-(4-carbomethoxybenzyl)methylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-(4-carbomethoxybenzyl)methylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.