Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl-
TL;DR: Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl- (CAS 3582-37-4) is a chemical compound with molecular formula C12H24N2 and molecular weight 196.19 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-propan-2-ylbutanenitrile
Also Known As: Butyronitrile 2,2-diisopropyl-4-dimethylamino-, BUTYRONITRILE, 2-(2-DIMETHYLAMINOETHYL)-2-ISOPROPYL-3-METHYL-, Butyronitrile 2,2-diisopropyl-4-dimethylamino, 4-(Dimethylamino)-2,2-diisopropylbutyronitrile, alpha,alpha-Diisopropyl-alpha-(2-dimethylaminoethyl)acetonitrile
| Molecular Formula | C12H24N2 |
|---|---|
| Molecular Weight | 196.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.19395 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 3582-37-4 |
|---|---|
| SMILES | CC(C)C(CCN(C)C)(C#N)C(C)C |
| InChIKey | QAKIPJGCSIWOQM-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl- (CAS 3582-37-4), with molecular formula C12H24N2 and molecular weight 196.19 g/mol. IUPAC: 2-[2-(dimethylamino)ethyl]-3-methyl-2-propan-2-ylbutanenitrile.
Chemical Property Profile of Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl-
Property Insights of Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl-. With a topological polar surface area (TPSA) of 27.0 Ų, Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl- 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, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl-?
The CAS number of Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl- is 3582-37-4.
What is the molecular formula of Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl-?
The molecular formula of Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl- is C12H24N2.
What is the molecular weight of Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl-?
The molecular weight of Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl- is 196.19 g/mol.
Where can I buy Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl-?
You can request a quote for Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 2-(2-dimethylaminoethyl)-2-isopropyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.