α-(二乙氨基)苯乙腈
TL;DR: α-(二乙氨基)苯乙腈 (CAS 5097-99-4) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-(二乙氨基)苯乙腈
2-(diethylamino)-2-phenylacetonitrile
Also Known As: 2-(diethylamino)-2-phenylacetonitrile, Diethylaminophenylacetonitrile, phenyl acetonitrile, (diethylamino)(phenyl)acetonitrile, Phenyl(diethylamino)acetonitrile
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 5097-99-4 |
|---|---|
| SMILES | CCN(CC)C(C#N)C1=CC=CC=C1 |
| InChIKey | MNUHBMWEFILMEW-UHFFFAOYSA-N |
Product Overview
α-(二乙氨基)苯乙腈 (CAS 5097-99-4), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 2-(diethylamino)-2-phenylacetonitrile.
Chemical Property Profile of α-(二乙氨基)苯乙腈
Property Insights of α-(二乙氨基)苯乙腈
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-(二乙氨基)苯乙腈. With a topological polar surface area (TPSA) of 27.0 Ų, α-(二乙氨基)苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-(二乙氨基)苯乙腈 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 α-(二乙氨基)苯乙腈?
The CAS number of α-(二乙氨基)苯乙腈 is 5097-99-4.
What is the molecular formula of α-(二乙氨基)苯乙腈?
The molecular formula of α-(二乙氨基)苯乙腈 is C12H16N2.
What is the molecular weight of α-(二乙氨基)苯乙腈?
The molecular weight of α-(二乙氨基)苯乙腈 is 188.13 g/mol.
Where can I buy α-(二乙氨基)苯乙腈?
You can request a quote for α-(二乙氨基)苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-(二乙氨基)苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for α-(二乙氨基)苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.