2-甲基-2-戊基庚腈
TL;DR: 2-甲基-2-戊基庚腈 (CAS 49827-48-7) is a chemical compound with molecular formula C13H25N and molecular weight 195.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-2-戊基庚腈
2-methyl-2-pentylheptanenitrile
Also Known As: 2-methyl-2-pentylheptanenitrile, Undecane, 6-cyano-6-methyl-, 2-Pentyl-2-methylheptanonitrile, Heptanenitrile, 2-methyl-2-pentyl-, Propionitrile, 2,2-dipentyl-
| Molecular Formula | C13H25N |
|---|---|
| Molecular Weight | 195.20 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 195.1987 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 49827-48-7 |
|---|---|
| SMILES | CCCCCC(C)(CCCCC)C#N |
| InChIKey | DBCOJMXZAWQKQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-2-戊基庚腈 (CAS 49827-48-7), with molecular formula C13H25N and molecular weight 195.20 g/mol. IUPAC: 2-methyl-2-pentylheptanenitrile.
Chemical Property Profile of 2-甲基-2-戊基庚腈
Property Insights of 2-甲基-2-戊基庚腈
The XLogP value of 5.3 indicates that 2-甲基-2-戊基庚腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-甲基-2-戊基庚腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-2-戊基庚腈 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-甲基-2-戊基庚腈?
The CAS number of 2-甲基-2-戊基庚腈 is 49827-48-7.
What is the molecular formula of 2-甲基-2-戊基庚腈?
The molecular formula of 2-甲基-2-戊基庚腈 is C13H25N.
What is the molecular weight of 2-甲基-2-戊基庚腈?
The molecular weight of 2-甲基-2-戊基庚腈 is 195.20 g/mol.
Where can I buy 2-甲基-2-戊基庚腈?
You can request a quote for 2-甲基-2-戊基庚腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-2-戊基庚腈?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-2-戊基庚腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.