仲丁胺
TL;DR: 仲丁胺 (CAS 13952-84-6) is a chemical compound with molecular formula C4H11N and molecular weight 73.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
仲丁胺
butan-2-amine
Also Known As: SEC-BUTYLAMINE, butan-2-amine, 2-Butanamine, 2-Aminobutane, 2-Butylamine
| Molecular Formula | C4H11N |
|---|---|
| Molecular Weight | 73.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 73.08915 |
| Heavy Atoms | 5 |
| Complexity | 19.0 |
| Melting Point | -103.9 °C |
| Boiling Point | 63.5 °C at 760 mmHg |
| Density | 0.721 at 20.0 °C - Less dense than water; will float |
| Solubility | Soluble (>=10 mg/ml) (NTP, 1992) |
| Flash Point | -9.4 °C |
| Vapor Pressure | 315.37 mmHg |
| Refractive Index | 1.394 at 20 °C |
Chemical Identifiers
| CAS Number | 13952-84-6 |
|---|---|
| SMILES | CCC(C)N |
| InChIKey | BHRZNVHARXXAHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
仲丁胺 (CAS 13952-84-6), with molecular formula C4H11N and molecular weight 73.09 g/mol. IUPAC: butan-2-amine.
Chemical Property Profile of 仲丁胺
Property Insights of 仲丁胺
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 仲丁胺. With a topological polar surface area (TPSA) of 26.0 Ų, 仲丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 仲丁胺 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 仲丁胺?
The CAS number of 仲丁胺 is 13952-84-6.
What is the molecular formula of 仲丁胺?
The molecular formula of 仲丁胺 is C4H11N.
What is the molecular weight of 仲丁胺?
The molecular weight of 仲丁胺 is 73.09 g/mol.
Where can I buy 仲丁胺?
You can request a quote for 仲丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 仲丁胺?
Yes, KEHONG BIO provides custom synthesis services for 仲丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.