Butane, 2-isocyano-2-methyl-
TL;DR: Butane, 2-isocyano-2-methyl- (CAS 13947-76-7) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyano-2-methylbutane
Also Known As: tert-Amylisocyanide, 2-isocyano-2-methylbutane, Butane, 2-isocyano-2-methyl-, tert-Pentyl isocyanide, 2-isocyano-2-methyl-butane
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 2.09429 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 86.84337 |
Chemical Identifiers
| CAS Number | 13947-76-7 |
|---|---|
| SMILES | CCC(C)(C)[N+]#[C-] |
Product Overview
Butane, 2-isocyano-2-methyl- (CAS 13947-76-7), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: 2-isocyano-2-methylbutane.
Chemical Property Profile of Butane, 2-isocyano-2-methyl-
Property Insights of Butane, 2-isocyano-2-methyl-
The XLogP value of 2.09429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 2-isocyano-2-methyl-. With a topological polar surface area (TPSA) of 4.36 Ų, Butane, 2-isocyano-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 2-isocyano-2-methyl- has 0 hydrogen bond donor(s) and 0 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 Butane, 2-isocyano-2-methyl-?
The CAS number of Butane, 2-isocyano-2-methyl- is 13947-76-7.
What is the molecular formula of Butane, 2-isocyano-2-methyl-?
The molecular formula of Butane, 2-isocyano-2-methyl- is C6H11N.
What is the molecular weight of Butane, 2-isocyano-2-methyl-?
The molecular weight of Butane, 2-isocyano-2-methyl- is 97.09 g/mol.
Where can I buy Butane, 2-isocyano-2-methyl-?
You can request a quote for Butane, 2-isocyano-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 2-isocyano-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 2-isocyano-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.