β-丁氨基异丁腈
TL;DR: β-丁氨基异丁腈 (CAS 63145-02-8) 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.
β-丁氨基异丁腈
3-(butylamino)-2-methylpropanenitrile
Also Known As: beta-Butylaminoisobutyronitrile, 3-(butylamino)-2-methylpropanenitrile, .beta.-Butylaminoisobutyronitrile, 3-butylamino-2-methyl-propanenitrile, 2-(Butylamino)-1-methylethyl Cyanide
| Molecular Formula | C8H16N2 |
|---|---|
| Molecular Weight | 140.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 140.13135 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 63145-02-8 |
|---|---|
| SMILES | CCCCNCC(C)C#N |
| InChIKey | YEOFLJMHUKTFBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
β-丁氨基异丁腈 (CAS 63145-02-8), with molecular formula C8H16N2 and molecular weight 140.13 g/mol. IUPAC: 3-(butylamino)-2-methylpropanenitrile.
Chemical Property Profile of β-丁氨基异丁腈
Property Insights of β-丁氨基异丁腈
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for β-丁氨基异丁腈. With a topological polar surface area (TPSA) of 35.8 Ų, β-丁氨基异丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-丁氨基异丁腈 has 1 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 β-丁氨基异丁腈?
The CAS number of β-丁氨基异丁腈 is 63145-02-8.
What is the molecular formula of β-丁氨基异丁腈?
The molecular formula of β-丁氨基异丁腈 is C8H16N2.
What is the molecular weight of β-丁氨基异丁腈?
The molecular weight of β-丁氨基异丁腈 is 140.13 g/mol.
Where can I buy β-丁氨基异丁腈?
You can request a quote for β-丁氨基异丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-丁氨基异丁腈?
Yes, KEHONG BIO provides custom synthesis services for β-丁氨基异丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.