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Acetonitrile, 2,2'-[(phenylmethyl)imino]bis-
TL;DR: Acetonitrile, 2,2'-[(phenylmethyl)imino]bis- (CAS 16728-92-0) is a chemical compound with molecular formula C11H11N3 and molecular weight 185.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl(cyanomethyl)amino]acetonitrile
Also Known As: Acetonitrile, 2,2'-[(phenylmethyl)imino]bis-, Acetonitrile, (benzylimino)di-, 2-[benzyl(cyanomethyl)amino]acetonitrile, 2,2'-(Benzyl-imino)bisacetonitrile, 2,2 -Benzyliminobisacetonitrile
| Molecular Formula | C11H11N3 |
|---|---|
| Molecular Weight | 185.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.09529 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 16728-92-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC#N)CC#N |
| InChIKey | XGGCCZTWTQDLQH-UHFFFAOYSA-N |
Product Overview
Acetonitrile, 2,2'-[(phenylmethyl)imino]bis- (CAS 16728-92-0), with molecular formula C11H11N3 and molecular weight 185.10 g/mol. IUPAC: 2-[benzyl(cyanomethyl)amino]acetonitrile.
Chemical Property Profile of Acetonitrile, 2,2'-[(phenylmethyl)imino]bis-
Property Insights of Acetonitrile, 2,2'-[(phenylmethyl)imino]bis-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, 2,2'-[(phenylmethyl)imino]bis-. With a topological polar surface area (TPSA) of 50.8 Ų, Acetonitrile, 2,2'-[(phenylmethyl)imino]bis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, 2,2'-[(phenylmethyl)imino]bis- 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, 2,2'-[(phenylmethyl)imino]bis-?
The CAS number of Acetonitrile, 2,2'-[(phenylmethyl)imino]bis- is 16728-92-0.
What is the molecular formula of Acetonitrile, 2,2'-[(phenylmethyl)imino]bis-?
The molecular formula of Acetonitrile, 2,2'-[(phenylmethyl)imino]bis- is C11H11N3.
What is the molecular weight of Acetonitrile, 2,2'-[(phenylmethyl)imino]bis-?
The molecular weight of Acetonitrile, 2,2'-[(phenylmethyl)imino]bis- is 185.10 g/mol.
Where can I buy Acetonitrile, 2,2'-[(phenylmethyl)imino]bis-?
You can request a quote for Acetonitrile, 2,2'-[(phenylmethyl)imino]bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, 2,2'-[(phenylmethyl)imino]bis-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, 2,2'-[(phenylmethyl)imino]bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.