4-(二甲氨基)-2-甲基-2-苯基丁腈
TL;DR: 4-(二甲氨基)-2-甲基-2-苯基丁腈 (CAS 2809-43-0) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(二甲氨基)-2-甲基-2-苯基丁腈
4-(dimethylamino)-2-methyl-2-phenylbutanenitrile
Also Known As: 4-(dimethylamino)-2-methyl-2-phenylbutanenitrile, 4-(Dimethylamino)-2-methyl-2-phenylbutyronitrile, 4-14-00-01743 (Beilstein Handbook Reference), BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-METHYL-2-PHENYL-, Hydratroponitrile, .alpha.-[2-(dimethylamino)ethyl]-
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 2809-43-0 |
|---|---|
| SMILES | CC(CCN(C)C)(C#N)C1=CC=CC=C1 |
| InChIKey | HQHDICLYVMSIDG-UHFFFAOYSA-N |
Product Overview
4-(二甲氨基)-2-甲基-2-苯基丁腈 (CAS 2809-43-0), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: 4-(dimethylamino)-2-methyl-2-phenylbutanenitrile.
Chemical Property Profile of 4-(二甲氨基)-2-甲基-2-苯基丁腈
Property Insights of 4-(二甲氨基)-2-甲基-2-苯基丁腈
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(二甲氨基)-2-甲基-2-苯基丁腈. With a topological polar surface area (TPSA) of 27.0 Ų, 4-(二甲氨基)-2-甲基-2-苯基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(二甲氨基)-2-甲基-2-苯基丁腈 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 4-(二甲氨基)-2-甲基-2-苯基丁腈?
The CAS number of 4-(二甲氨基)-2-甲基-2-苯基丁腈 is 2809-43-0.
What is the molecular formula of 4-(二甲氨基)-2-甲基-2-苯基丁腈?
The molecular formula of 4-(二甲氨基)-2-甲基-2-苯基丁腈 is C13H18N2.
What is the molecular weight of 4-(二甲氨基)-2-甲基-2-苯基丁腈?
The molecular weight of 4-(二甲氨基)-2-甲基-2-苯基丁腈 is 202.15 g/mol.
Where can I buy 4-(二甲氨基)-2-甲基-2-苯基丁腈?
You can request a quote for 4-(二甲氨基)-2-甲基-2-苯基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(二甲氨基)-2-甲基-2-苯基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(二甲氨基)-2-甲基-2-苯基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.