Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-
TL;DR: Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)- (CAS 100137-91-5) is a chemical compound with molecular formula C12H15N3O and molecular weight 217.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-cyano-2-(dimethylamino)acetamide
Also Known As: Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-, N-(alpha-Cyanobenzyl)-2-(dimethylamino)acetamide, N-benzyl-N-cyano-2-(dimethylamino)acetamide, 4-14-00-01341 (Beilstein Handbook Reference), N-Benzyl-N-cyano-N~2~,N~2~-dimethylglycinamide
| Molecular Formula | C12H15N3O |
|---|---|
| Molecular Weight | 217.12 g/mol |
| LogP | 1.05788 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.1215 |
| Heavy Atoms | 16 |
| Complexity | 381.0004 |
Chemical Identifiers
| CAS Number | 100137-91-5 |
|---|---|
| SMILES | CN(C)CC(=O)N(CC1=CC=CC=C1)C#N |
Product Overview
Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)- (CAS 100137-91-5), with molecular formula C12H15N3O and molecular weight 217.12 g/mol. IUPAC: N-benzyl-N-cyano-2-(dimethylamino)acetamide.
Chemical Property Profile of Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-
Property Insights of Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-
The XLogP value of 1.05788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-. With a topological polar surface area (TPSA) of 47.34 Ų, Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)- 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 Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-?
The CAS number of Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)- is 100137-91-5.
What is the molecular formula of Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-?
The molecular formula of Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)- is C12H15N3O.
What is the molecular weight of Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-?
The molecular weight of Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)- is 217.12 g/mol.
Where can I buy Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-?
You can request a quote for Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(alpha-cyanobenzyl)-2-(dimethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.