2-(Diphenylamino)acetonitrile
TL;DR: 2-(Diphenylamino)acetonitrile (CAS 36602-06-9) is a chemical compound with molecular formula C14H12N2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-phenylanilino)acetonitrile
Also Known As: 2-(Diphenylamino)acetonitrile, PHENYL-PHENYLAMINO-ACETONITRILE, 2-(diphenylamino)ethanenitrile, 2-(N-phenylanilino)acetonitrile, acetonitrile, 2-(diphenylamino)-
| Molecular Formula | C14H12N2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 3.34828 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10005 |
| Heavy Atoms | 16 |
| Complexity | 431.59344 |
Chemical Identifiers
| CAS Number | 36602-06-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CC#N)C2=CC=CC=C2 |
Product Overview
2-(Diphenylamino)acetonitrile (CAS 36602-06-9), with molecular formula C14H12N2 and molecular weight 208.10 g/mol. IUPAC: 2-(N-phenylanilino)acetonitrile.
Chemical Property Profile of 2-(Diphenylamino)acetonitrile
Property Insights of 2-(Diphenylamino)acetonitrile
The XLogP value of 3.34828 indicates that 2-(Diphenylamino)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, 2-(Diphenylamino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diphenylamino)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 2-(Diphenylamino)acetonitrile?
The CAS number of 2-(Diphenylamino)acetonitrile is 36602-06-9.
What is the molecular formula of 2-(Diphenylamino)acetonitrile?
The molecular formula of 2-(Diphenylamino)acetonitrile is C14H12N2.
What is the molecular weight of 2-(Diphenylamino)acetonitrile?
The molecular weight of 2-(Diphenylamino)acetonitrile is 208.10 g/mol.
Where can I buy 2-(Diphenylamino)acetonitrile?
You can request a quote for 2-(Diphenylamino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diphenylamino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diphenylamino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.