N,N-Bis(2-cyanoethyl)benzamide
TL;DR: N,N-Bis(2-cyanoethyl)benzamide (CAS 3232-12-0) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-cyanoethyl)benzamide
Also Known As: N,N-Bis(2-cyanoethyl)benzamide, 3,3 -(Benzoylimino)bispropanenitrile, J1.402.142F, RefChem:161089
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 3232-12-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N(CCC#N)CCC#N |
| InChIKey | LNCBPXWNUQBKKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Bis(2-cyanoethyl)benzamide (CAS 3232-12-0), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: N,N-bis(2-cyanoethyl)benzamide.
Chemical Property Profile of N,N-Bis(2-cyanoethyl)benzamide
Property Insights of N,N-Bis(2-cyanoethyl)benzamide
The XLogP value of -0.1 indicates that N,N-Bis(2-cyanoethyl)benzamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Bis(2-cyanoethyl)benzamide. Following Lipinski's Rule of Five, N,N-Bis(2-cyanoethyl)benzamide 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 N,N-Bis(2-cyanoethyl)benzamide?
The CAS number of N,N-Bis(2-cyanoethyl)benzamide is 3232-12-0.
What is the molecular formula of N,N-Bis(2-cyanoethyl)benzamide?
The molecular formula of N,N-Bis(2-cyanoethyl)benzamide is C13H13N3O.
What is the molecular weight of N,N-Bis(2-cyanoethyl)benzamide?
The molecular weight of N,N-Bis(2-cyanoethyl)benzamide is 227.11 g/mol.
Where can I buy N,N-Bis(2-cyanoethyl)benzamide?
You can request a quote for N,N-Bis(2-cyanoethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-cyanoethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-cyanoethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.