beta-(Diethylamino)isobutyronitrile
TL;DR: beta-(Diethylamino)isobutyronitrile (CAS 63145-01-7) is a chemical compound with molecular formula C8H16N2 and molecular weight 140.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)-2-methylpropanenitrile
Also Known As: DEABN, beta-(Diethylamino)isobutyronitrile, 3-(diethylamino)-2-methylpropanenitrile, Propanenitrile, 3-(diethylamino)-2-methyl-, RefChem:119162
| Molecular Formula | C8H16N2 |
|---|---|
| Molecular Weight | 140.13 g/mol |
| LogP | 1.48788 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.13135 |
| Heavy Atoms | 10 |
| Complexity | 110.91622 |
Chemical Identifiers
| CAS Number | 63145-01-7 |
|---|---|
| SMILES | CCN(CC)CC(C)C#N |
Product Overview
beta-(Diethylamino)isobutyronitrile (CAS 63145-01-7), with molecular formula C8H16N2 and molecular weight 140.13 g/mol. IUPAC: 3-(diethylamino)-2-methylpropanenitrile.
Chemical Property Profile of beta-(Diethylamino)isobutyronitrile
Property Insights of beta-(Diethylamino)isobutyronitrile
The XLogP value of 1.48788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-(Diethylamino)isobutyronitrile. With a topological polar surface area (TPSA) of 27.03 Ų, beta-(Diethylamino)isobutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-(Diethylamino)isobutyronitrile 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 beta-(Diethylamino)isobutyronitrile?
The CAS number of beta-(Diethylamino)isobutyronitrile is 63145-01-7.
What is the molecular formula of beta-(Diethylamino)isobutyronitrile?
The molecular formula of beta-(Diethylamino)isobutyronitrile is C8H16N2.
What is the molecular weight of beta-(Diethylamino)isobutyronitrile?
The molecular weight of beta-(Diethylamino)isobutyronitrile is 140.13 g/mol.
Where can I buy beta-(Diethylamino)isobutyronitrile?
You can request a quote for beta-(Diethylamino)isobutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(Diethylamino)isobutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for beta-(Diethylamino)isobutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.