Butylprop-2-ynylamine
TL;DR: Butylprop-2-ynylamine (CAS 44768-33-4) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-ynylbutan-1-amine
Also Known As: butylprop-2-ynylamine, Butyl-prop-2-ynyl-amine, N-prop-2-ynylbutan-1-amine, N-Butylpropargylamine, n-butyl(propargyl)amine
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 1.0093 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 70.946236 |
Chemical Identifiers
| CAS Number | 44768-33-4 |
|---|---|
| SMILES | CCCCNCC#C |
Product Overview
Butylprop-2-ynylamine (CAS 44768-33-4), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: N-prop-2-ynylbutan-1-amine.
Chemical Property Profile of Butylprop-2-ynylamine
Property Insights of Butylprop-2-ynylamine
The XLogP value of 1.0093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylprop-2-ynylamine. With a topological polar surface area (TPSA) of 12.03 Ų, Butylprop-2-ynylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylprop-2-ynylamine 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 Butylprop-2-ynylamine?
The CAS number of Butylprop-2-ynylamine is 44768-33-4.
What is the molecular formula of Butylprop-2-ynylamine?
The molecular formula of Butylprop-2-ynylamine is C7H13N.
What is the molecular weight of Butylprop-2-ynylamine?
The molecular weight of Butylprop-2-ynylamine is 111.10 g/mol.
Where can I buy Butylprop-2-ynylamine?
You can request a quote for Butylprop-2-ynylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylprop-2-ynylamine?
Yes, KEHONG BIO provides custom synthesis services for Butylprop-2-ynylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.