N-Nitroso-N-(4-carboxybenzyl)methylamine
TL;DR: N-Nitroso-N-(4-carboxybenzyl)methylamine (CAS 72782-13-9) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[methyl(nitroso)amino]methyl]benzoic acid
Also Known As: N-Nitroso-N-(4-carboxybenzyl)methylamine, 4-{[methyl(nitroso)amino]methyl}benzoic acid, 4-(2-(nitrosoamino)ethyl)benzoic acid, 4-[(Methylnitrosoamino)methyl]benzoic acid, 4-[2-(2-oxohydrazinyl)ethyl]benzoic acid
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 72782-13-9 |
|---|---|
| SMILES | CN(CC1=CC=C(C=C1)C(=O)O)N=O |
| InChIKey | UEZIGZVHYWUOBH-UHFFFAOYSA-N |
Product Overview
N-Nitroso-N-(4-carboxybenzyl)methylamine (CAS 72782-13-9), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: 4-[[methyl(nitroso)amino]methyl]benzoic acid.
Chemical Property Profile of N-Nitroso-N-(4-carboxybenzyl)methylamine
Property Insights of N-Nitroso-N-(4-carboxybenzyl)methylamine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-(4-carboxybenzyl)methylamine. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitroso-N-(4-carboxybenzyl)methylamine. Following Lipinski's Rule of Five, N-Nitroso-N-(4-carboxybenzyl)methylamine has 1 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-carboxybenzyl)methylamine?
The CAS number of N-Nitroso-N-(4-carboxybenzyl)methylamine is 72782-13-9.
What is the molecular formula of N-Nitroso-N-(4-carboxybenzyl)methylamine?
The molecular formula of N-Nitroso-N-(4-carboxybenzyl)methylamine is C9H10N2O3.
What is the molecular weight of N-Nitroso-N-(4-carboxybenzyl)methylamine?
The molecular weight of N-Nitroso-N-(4-carboxybenzyl)methylamine is 194.07 g/mol.
Where can I buy N-Nitroso-N-(4-carboxybenzyl)methylamine?
You can request a quote for N-Nitroso-N-(4-carboxybenzyl)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-carboxybenzyl)methylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-(4-carboxybenzyl)methylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.