N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide
TL;DR: N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide (CAS 100705-51-9) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide
Also Known As: N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide, N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide, 4-14-00-01341 (Beilstein Handbook Reference), Propionamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-, N,N-Dimethyl-alanin-[(cyan-phenyl-methyl)-amid]
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 1.31758 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 408.4228 |
Chemical Identifiers
| CAS Number | 100705-51-9 |
|---|---|
| SMILES | CC(C(=O)NC(C#N)C1=CC=CC=C1)N(C)C |
Product Overview
N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide (CAS 100705-51-9), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide.
Chemical Property Profile of N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide
Property Insights of N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide
The XLogP value of 1.31758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide. With a topological polar surface area (TPSA) of 56.13 Ų, N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide has 1 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-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide?
The CAS number of N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide is 100705-51-9.
What is the molecular formula of N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide?
The molecular formula of N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide is C13H17N3O.
What is the molecular weight of N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide?
The molecular weight of N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide is 231.14 g/mol.
Where can I buy N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide?
You can request a quote for N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide?
Yes, KEHONG BIO provides custom synthesis services for N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.