Valeronitrile, 5-(dimethylamino)-2-phenyl-
TL;DR: Valeronitrile, 5-(dimethylamino)-2-phenyl- (CAS 10404-34-9) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(dimethylamino)-2-phenylpentanenitrile
Also Known As: 5-(Dimethylamino)-2-phenylvaleronitrile, 5-(dimethylamino)-2-phenylpentanenitrile, Valeronitrile, 5-(dimethylamino)-2-phenyl-, 5-Dimethylamino-2-phenylvaleronitrile, alpha-(3-Dimethylaminopropyl)phenylacetonitrile
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18N2 |
| Molecular Weight | 202.147 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 202.147 Da |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
| SMILES | CN(C)CCCC(C#N)C1=CC=CC=C1 |
| InChIKey | NXHIHKLMPBXJOK-UHFFFAOYSA-N |
Chemical Property Profile of Valeronitrile, 5-(dimethylamino)-2-phenyl-
Property Insights of Valeronitrile, 5-(dimethylamino)-2-phenyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valeronitrile, 5-(dimethylamino)-2-phenyl-. With a topological polar surface area (TPSA) of 27.0 Ų, Valeronitrile, 5-(dimethylamino)-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeronitrile, 5-(dimethylamino)-2-phenyl- 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
What is the CAS number of Valeronitrile, 5-(dimethylamino)-2-phenyl-?
The CAS number of Valeronitrile, 5-(dimethylamino)-2-phenyl- is 10404-34-9.
What is the molecular formula of Valeronitrile, 5-(dimethylamino)-2-phenyl-?
The molecular formula of Valeronitrile, 5-(dimethylamino)-2-phenyl- is C13H18N2.
What is the molecular weight of Valeronitrile, 5-(dimethylamino)-2-phenyl-?
The molecular weight of Valeronitrile, 5-(dimethylamino)-2-phenyl- is 202.147 g/mol.
Where can I buy Valeronitrile, 5-(dimethylamino)-2-phenyl-?
You can request a quote for Valeronitrile, 5-(dimethylamino)-2-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Valeronitrile, 5-(dimethylamino)-2-phenyl-?
Yes, CoreyChem provides custom synthesis services for Valeronitrile, 5-(dimethylamino)-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.