Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl-
TL;DR: Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl- (CAS 14780-11-1) is a chemical compound with molecular formula C16H24N2 and molecular weight 244.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-methylphenyl)butanenitrile
Also Known As: 4-(Dimethylamino)-2-isopropyl-2-p-tolylbutyronitrile, BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-ISOPROPYL-2-p-TOLYL-, 2-(2-dimethylaminoethyl)-3-methyl-2-(4-methylphenyl)butanenitrile, 2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-methylphenyl)butanenitrile, BRN 2118635
| Molecular Formula | C16H24N2 |
|---|---|
| Molecular Weight | 244.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.19395 |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 14780-11-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CCN(C)C)(C#N)C(C)C |
| InChIKey | HKGFNXNIGNHEGP-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl- (CAS 14780-11-1), with molecular formula C16H24N2 and molecular weight 244.19 g/mol. IUPAC: 2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-methylphenyl)butanenitrile.
Chemical Property Profile of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl-
Property Insights of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl-
The XLogP value of 3.5 indicates that Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl- 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 Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl-?
The CAS number of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl- is 14780-11-1.
What is the molecular formula of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl-?
The molecular formula of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl- is C16H24N2.
What is the molecular weight of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl-?
The molecular weight of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl- is 244.19 g/mol.
Where can I buy Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl-?
You can request a quote for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-p-tolyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.