(丁氨基)乙腈
TL;DR: (丁氨基)乙腈 (CAS 3010-04-6) is a chemical compound with molecular formula C6H12N2 and molecular weight 112.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(丁氨基)乙腈
2-(butylamino)acetonitrile
Also Known As: (Butylamino)acetonitrile, (n-Butylamino)acetonitrile, 2-(butylamino)acetonitrile, butylamino-acetonitrile, butylaminoacetonitrile
| Molecular Formula | C6H12N2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 3010-04-6 |
|---|---|
| SMILES | CCCCNCC#N |
| InChIKey | SPMMZKAWNAKPJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(丁氨基)乙腈 (CAS 3010-04-6), with molecular formula C6H12N2 and molecular weight 112.10 g/mol. IUPAC: 2-(butylamino)acetonitrile.
Chemical Property Profile of (丁氨基)乙腈
Property Insights of (丁氨基)乙腈
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (丁氨基)乙腈. With a topological polar surface area (TPSA) of 35.8 Ų, (丁氨基)乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (丁氨基)乙腈 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 (丁氨基)乙腈?
The CAS number of (丁氨基)乙腈 is 3010-04-6.
What is the molecular formula of (丁氨基)乙腈?
The molecular formula of (丁氨基)乙腈 is C6H12N2.
What is the molecular weight of (丁氨基)乙腈?
The molecular weight of (丁氨基)乙腈 is 112.10 g/mol.
Where can I buy (丁氨基)乙腈?
You can request a quote for (丁氨基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (丁氨基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for (丁氨基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.