![Acetonitrile, [(4-methylphenyl)nitrosoamino]- structure](/static/products/829/829-28-7.png)
Acetonitrile, [(4-methylphenyl)nitrosoamino]-
TL;DR: Acetonitrile, [(4-methylphenyl)nitrosoamino]- (CAS 829-28-7) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-N-(4-methylphenyl)nitrous amide
Also Known As: Acetonitrile, [(4-methylphenyl)nitrosoamino]-, N-(cyanomethyl)-N-(4-methylphenyl)nitrous amide, T0510-7447
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 2.0064 |
| Topological Polar Surface Area | 56.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 325.7082 |
Chemical Identifiers
| CAS Number | 829-28-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC#N)N=O |
Product Overview
Acetonitrile, [(4-methylphenyl)nitrosoamino]- (CAS 829-28-7), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: N-(cyanomethyl)-N-(4-methylphenyl)nitrous amide.
Chemical Property Profile of Acetonitrile, [(4-methylphenyl)nitrosoamino]-
Property Insights of Acetonitrile, [(4-methylphenyl)nitrosoamino]-
The XLogP value of 2.0064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, [(4-methylphenyl)nitrosoamino]-. With a topological polar surface area (TPSA) of 56.46 Ų, Acetonitrile, [(4-methylphenyl)nitrosoamino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, [(4-methylphenyl)nitrosoamino]- 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 Acetonitrile, [(4-methylphenyl)nitrosoamino]-?
The CAS number of Acetonitrile, [(4-methylphenyl)nitrosoamino]- is 829-28-7.
What is the molecular formula of Acetonitrile, [(4-methylphenyl)nitrosoamino]-?
The molecular formula of Acetonitrile, [(4-methylphenyl)nitrosoamino]- is C9H9N3O.
What is the molecular weight of Acetonitrile, [(4-methylphenyl)nitrosoamino]-?
The molecular weight of Acetonitrile, [(4-methylphenyl)nitrosoamino]- is 175.07 g/mol.
Where can I buy Acetonitrile, [(4-methylphenyl)nitrosoamino]-?
You can request a quote for Acetonitrile, [(4-methylphenyl)nitrosoamino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, [(4-methylphenyl)nitrosoamino]-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, [(4-methylphenyl)nitrosoamino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.