組織胺
TL;DR: 組織胺 (CAS 51-45-6) is a chemical compound with molecular formula C5H9N3 and molecular weight 111.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
組織胺
2-(1H-imidazol-5-yl)ethanamine
Also Known As: histamine, Ergotidine, Ergamine, Eramin, Theramine
| Molecular Formula | C5H9N3 |
|---|---|
| Molecular Weight | 111.08 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 111.07965 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
| Melting Point | 139 |
| Boiling Point | 209-210 °C @ 18 MM HG |
| Solubility | COLORLESS LONG PRISMATIC CRYSTALS; ODORLESS; 1 G SOL IN ABOUT 4 ML WATER; AQ SOLN IS ACID TO LITMUS; WHEN DRIED AT 105 °C FOR 2 HR, IT MELTS AT ABOUT 140 °C /PHOSPHATE/ |
Chemical Identifiers
| CAS Number | 51-45-6 |
|---|---|
| SMILES | C1=C(NC=N1)CCN |
| InChIKey | NTYJJOPFIAHURM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
組織胺 (CAS 51-45-6), with molecular formula C5H9N3 and molecular weight 111.08 g/mol. IUPAC: 2-(1H-imidazol-5-yl)ethanamine.
Chemical Property Profile of 組織胺
Property Insights of 組織胺
The XLogP value of -0.7 indicates that 組織胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.7 Ų, 組織胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 組織胺 has 2 hydrogen bond donor(s) and 2 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 組織胺?
The CAS number of 組織胺 is 51-45-6.
What is the molecular formula of 組織胺?
The molecular formula of 組織胺 is C5H9N3.
What is the molecular weight of 組織胺?
The molecular weight of 組織胺 is 111.08 g/mol.
Where can I buy 組織胺?
You can request a quote for 組織胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 組織胺?
Yes, KEHONG BIO provides custom synthesis services for 組織胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.