2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile
TL;DR: 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile (CAS 105910-18-7) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile
Also Known As: IFLab1_004269, 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile, IDI1_010024, BAS 00534949, (dimethylamino)(1H-indol-3-yl)acetonitrile
Technical Specifications
| Molecular Formula | C12H13N3 |
| Molecular Weight | 199.11095 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.11095 Da |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
| SMILES | CN(C)C(C#N)C1=CNC2=CC=CC=C21 |
| InChIKey | HBQFMIIRIKMRPI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile
Property Insights of 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile. With a topological polar surface area (TPSA) of 42.8 Ų, 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile?
The CAS number of 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile is 105910-18-7.
What is the molecular formula of 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile?
The molecular formula of 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile is C12H13N3.
What is the molecular weight of 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile?
The molecular weight of 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile is 199.11095 g/mol.
Where can I buy 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile?
You can request a quote for 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(dimethylamino)-2-(1H-indol-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.