alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol
TL;DR: alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol (CAS 79073-94-2) 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.
N-[4-(1-hydroxyethyl)phenyl]-N-methylnitrous amide
Also Known As: alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol, N-[4-(1-hydroxyethyl)phenyl]-N-methylnitrous amide, 1-{4-[methyl(nitroso)amino]phenyl}ethan-1-ol, BENZYL ALCOHOL, alpha-METHYL-p-(METHYLNITROSOAMINO)-, alpha-Methyl-4-(methylnitrosoamino)benzyl alcohol
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 79073-94-2 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)N(C)N=O)O |
| InChIKey | KVQUJTYBWCGJRS-UHFFFAOYSA-N |
Product Overview
alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol (CAS 79073-94-2), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: N-[4-(1-hydroxyethyl)phenyl]-N-methylnitrous amide.
Chemical Property Profile of alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol
Property Insights of alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol. With a topological polar surface area (TPSA) of 52.9 Ų, alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol has 1 hydrogen bond donor(s) and 4 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 alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol?
The CAS number of alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol is 79073-94-2.
What is the molecular formula of alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol?
The molecular formula of alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol is C9H12N2O2.
What is the molecular weight of alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol?
The molecular weight of alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol is 180.09 g/mol.
Where can I buy alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol?
You can request a quote for alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.