Benzene,1-butyl-4-isocyano-
TL;DR: Benzene,1-butyl-4-isocyano- (CAS 141399-15-7) is a chemical compound with molecular formula C11H13N and molecular weight 159.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-4-isocyanobenzene
Also Known As: 1-butyl-4-isocyanobenzene, Benzene,1-butyl-4-isocyano-, p-butylphenyl isocyanide, 4-butylphenyl isocyanide, 1-butyl-4-isocyano-benzene
Technical Specifications
| Molecular Formula | C11H13N |
| Molecular Weight | 159.1048 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.1048 Da |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
| SMILES | CCCCC1=CC=C(C=C1)[N+]#[C-] |
| InChIKey | JAWVCUNWTMNOOS-UHFFFAOYSA-N |
Chemical Property Profile of Benzene,1-butyl-4-isocyano-
Property Insights of Benzene,1-butyl-4-isocyano-
The XLogP value of 3.4 indicates that Benzene,1-butyl-4-isocyano- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, Benzene,1-butyl-4-isocyano- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,1-butyl-4-isocyano- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzene,1-butyl-4-isocyano-?
The CAS number of Benzene,1-butyl-4-isocyano- is 141399-15-7.
What is the molecular formula of Benzene,1-butyl-4-isocyano-?
The molecular formula of Benzene,1-butyl-4-isocyano- is C11H13N.
What is the molecular weight of Benzene,1-butyl-4-isocyano-?
The molecular weight of Benzene,1-butyl-4-isocyano- is 159.1048 g/mol.
Where can I buy Benzene,1-butyl-4-isocyano-?
You can request a quote for Benzene,1-butyl-4-isocyano- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene,1-butyl-4-isocyano-?
Yes, CoreyChem provides custom synthesis services for Benzene,1-butyl-4-isocyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.