2-(二甲氨基)-2-苯基乙腈
TL;DR: 2-(二甲氨基)-2-苯基乙腈 (CAS 827-36-1) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(二甲氨基)-2-苯基乙腈
2-(dimethylamino)-2-phenylacetonitrile
Also Known As: 2-(dimethylamino)-2-phenylacetonitrile, Dribendazole, alpha-(Dimethylamino)phenylacetonitrile, A- PHENYLACETONITRILE, A-(DIMETHYLAMINO)PHENYLACETONITRILE
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 827-36-1 |
|---|---|
| SMILES | CN(C)C(C#N)C1=CC=CC=C1 |
| InChIKey | PAGHXXKYFBGJEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(二甲氨基)-2-苯基乙腈 (CAS 827-36-1), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 2-(dimethylamino)-2-phenylacetonitrile.
Chemical Property Profile of 2-(二甲氨基)-2-苯基乙腈
Property Insights of 2-(二甲氨基)-2-苯基乙腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(二甲氨基)-2-苯基乙腈. With a topological polar surface area (TPSA) of 27.0 Ų, 2-(二甲氨基)-2-苯基乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(二甲氨基)-2-苯基乙腈 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 2-(二甲氨基)-2-苯基乙腈?
The CAS number of 2-(二甲氨基)-2-苯基乙腈 is 827-36-1.
What is the molecular formula of 2-(二甲氨基)-2-苯基乙腈?
The molecular formula of 2-(二甲氨基)-2-苯基乙腈 is C10H12N2.
What is the molecular weight of 2-(二甲氨基)-2-苯基乙腈?
The molecular weight of 2-(二甲氨基)-2-苯基乙腈 is 160.10 g/mol.
Where can I buy 2-(二甲氨基)-2-苯基乙腈?
You can request a quote for 2-(二甲氨基)-2-苯基乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(二甲氨基)-2-苯基乙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(二甲氨基)-2-苯基乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.