Acetonitrile, (nitroso(phenylmethyl)amino)-
TL;DR: Acetonitrile, (nitroso(phenylmethyl)amino)- (CAS 1202-33-1) 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-benzyl-N-(cyanomethyl)nitrous amide
Also Known As: n-nitroso-benzylaminoacetonitrile, (Nitroso(phenylmethyl)amino)acetonitrile, Acetonitrile, (nitroso(phenylmethyl)amino)-, N-benzyl-N-(cyanomethyl)nitrous amide, ACETONITRILE,(NITROSOBENZYLAMINO)-
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 1.69358 |
| Topological Polar Surface Area | 56.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 304.3859 |
Chemical Identifiers
| CAS Number | 1202-33-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC#N)N=O |
Product Overview
Acetonitrile, (nitroso(phenylmethyl)amino)- (CAS 1202-33-1), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: N-benzyl-N-(cyanomethyl)nitrous amide.
Chemical Property Profile of Acetonitrile, (nitroso(phenylmethyl)amino)-
Property Insights of Acetonitrile, (nitroso(phenylmethyl)amino)-
The XLogP value of 1.69358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, (nitroso(phenylmethyl)amino)-. With a topological polar surface area (TPSA) of 56.46 Ų, Acetonitrile, (nitroso(phenylmethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, (nitroso(phenylmethyl)amino)- 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, (nitroso(phenylmethyl)amino)-?
The CAS number of Acetonitrile, (nitroso(phenylmethyl)amino)- is 1202-33-1.
What is the molecular formula of Acetonitrile, (nitroso(phenylmethyl)amino)-?
The molecular formula of Acetonitrile, (nitroso(phenylmethyl)amino)- is C9H9N3O.
What is the molecular weight of Acetonitrile, (nitroso(phenylmethyl)amino)-?
The molecular weight of Acetonitrile, (nitroso(phenylmethyl)amino)- is 175.07 g/mol.
Where can I buy Acetonitrile, (nitroso(phenylmethyl)amino)-?
You can request a quote for Acetonitrile, (nitroso(phenylmethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, (nitroso(phenylmethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, (nitroso(phenylmethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.