3-Bromo-N-methyl-N-nitroso benzenemethanamine
TL;DR: 3-Bromo-N-methyl-N-nitroso benzenemethanamine (CAS 98736-47-1) is a chemical compound with molecular formula C8H9BrN2O and molecular weight 227.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromophenyl)methyl]-N-methylnitrous amide
Also Known As: (3-Bromobenzyl)methylnitrosamine, m-Bromo-N-methyl-N-nitrosobenzylamine, NIOSH/DP1745000, 3-Bromo-N-methyl-N-nitroso benzenemethanamine, N-Nitroso-N-(m-bromobenzyl)methylamine
| Molecular Formula | C8H9BrN2O |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.98982 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 98736-47-1 |
|---|---|
| SMILES | CN(CC1=CC(=CC=C1)Br)N=O |
| InChIKey | COKMTJNEJDZWKI-UHFFFAOYSA-N |
Product Overview
3-Bromo-N-methyl-N-nitroso benzenemethanamine (CAS 98736-47-1), with molecular formula C8H9BrN2O and molecular weight 227.99 g/mol. IUPAC: N-[(3-bromophenyl)methyl]-N-methylnitrous amide.
Chemical Property Profile of 3-Bromo-N-methyl-N-nitroso benzenemethanamine
Property Insights of 3-Bromo-N-methyl-N-nitroso benzenemethanamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-N-methyl-N-nitroso benzenemethanamine. With a topological polar surface area (TPSA) of 32.7 Ų, 3-Bromo-N-methyl-N-nitroso benzenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-N-methyl-N-nitroso benzenemethanamine has 0 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-Bromo-N-methyl-N-nitroso benzenemethanamine?
The CAS number of 3-Bromo-N-methyl-N-nitroso benzenemethanamine is 98736-47-1.
What is the molecular formula of 3-Bromo-N-methyl-N-nitroso benzenemethanamine?
The molecular formula of 3-Bromo-N-methyl-N-nitroso benzenemethanamine is C8H9BrN2O.
What is the molecular weight of 3-Bromo-N-methyl-N-nitroso benzenemethanamine?
The molecular weight of 3-Bromo-N-methyl-N-nitroso benzenemethanamine is 227.99 g/mol.
Where can I buy 3-Bromo-N-methyl-N-nitroso benzenemethanamine?
You can request a quote for 3-Bromo-N-methyl-N-nitroso benzenemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-N-methyl-N-nitroso benzenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-N-methyl-N-nitroso benzenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.