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[(Diphenylmethylene)amino]acetonitrile
TL;DR: [(Diphenylmethylene)amino]acetonitrile (CAS 70591-20-7) is a chemical compound with molecular formula C15H12N2 and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzhydrylideneamino)acetonitrile
Also Known As: N-(Diphenylmethylene)aminoacetonitrile, 2-((Diphenylmethylene)amino)acetonitrile, Diphenylmethyleniminoacetonitrile, 2-(benzhydrylideneamino)acetonitrile, N- aminoacetonitrile
| Molecular Formula | C15H12N2 |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.10005 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 70591-20-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NCC#N)C2=CC=CC=C2 |
| InChIKey | VRLJFRODHVSTIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(Diphenylmethylene)amino]acetonitrile (CAS 70591-20-7), with molecular formula C15H12N2 and molecular weight 220.10 g/mol. IUPAC: 2-(benzhydrylideneamino)acetonitrile.
Chemical Property Profile of [(Diphenylmethylene)amino]acetonitrile
Property Insights of [(Diphenylmethylene)amino]acetonitrile
The XLogP value of 3.0 indicates that [(Diphenylmethylene)amino]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.2 Ų, [(Diphenylmethylene)amino]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Diphenylmethylene)amino]acetonitrile has 0 hydrogen bond donor(s) and 2 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 [(Diphenylmethylene)amino]acetonitrile?
The CAS number of [(Diphenylmethylene)amino]acetonitrile is 70591-20-7.
What is the molecular formula of [(Diphenylmethylene)amino]acetonitrile?
The molecular formula of [(Diphenylmethylene)amino]acetonitrile is C15H12N2.
What is the molecular weight of [(Diphenylmethylene)amino]acetonitrile?
The molecular weight of [(Diphenylmethylene)amino]acetonitrile is 220.10 g/mol.
Where can I buy [(Diphenylmethylene)amino]acetonitrile?
You can request a quote for [(Diphenylmethylene)amino]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Diphenylmethylene)amino]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(Diphenylmethylene)amino]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.