Allylamine, 2-bromo-N-butyl-
TL;DR: Allylamine, 2-bromo-N-butyl- (CAS 89796-20-3) is a chemical compound with molecular formula C7H14BrN and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromoprop-2-enyl)butan-1-amine
Also Known As: N-(n-Butyl)-2-bromoallylamine, ALLYLAMINE, 2-BROMO-N-BUTYL-, N-(2-bromoprop-2-enyl)butan-1-amine, 2-Bromo-N-butyl-2-propen-1-amine, N-(2-bromoprop-2-enyl)-N-butylamine
| Molecular Formula | C7H14BrN |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.03096 |
| Heavy Atoms | 9 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 89796-20-3 |
|---|---|
| SMILES | CCCCNCC(=C)Br |
| InChIKey | RMUNFLYJZZIBJK-UHFFFAOYSA-N |
Product Overview
Allylamine, 2-bromo-N-butyl- (CAS 89796-20-3), with molecular formula C7H14BrN and molecular weight 191.03 g/mol. IUPAC: N-(2-bromoprop-2-enyl)butan-1-amine.
Chemical Property Profile of Allylamine, 2-bromo-N-butyl-
Property Insights of Allylamine, 2-bromo-N-butyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allylamine, 2-bromo-N-butyl-. With a topological polar surface area (TPSA) of 12.0 Ų, Allylamine, 2-bromo-N-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allylamine, 2-bromo-N-butyl- has 1 hydrogen bond donor(s) and 1 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 Allylamine, 2-bromo-N-butyl-?
The CAS number of Allylamine, 2-bromo-N-butyl- is 89796-20-3.
What is the molecular formula of Allylamine, 2-bromo-N-butyl-?
The molecular formula of Allylamine, 2-bromo-N-butyl- is C7H14BrN.
What is the molecular weight of Allylamine, 2-bromo-N-butyl-?
The molecular weight of Allylamine, 2-bromo-N-butyl- is 191.03 g/mol.
Where can I buy Allylamine, 2-bromo-N-butyl-?
You can request a quote for Allylamine, 2-bromo-N-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylamine, 2-bromo-N-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Allylamine, 2-bromo-N-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.