间苯二甲胺
TL;DR: 间苯二甲胺 (CAS 1477-55-0) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间苯二甲胺
[3-(aminomethyl)phenyl]methanamine
Also Known As: m-Xylylenediamine, 1,3-BENZENEDIMETHANAMINE, m-Xylylendiamin, 1,3-Xylylenediamine, 1,3-Bis(aminomethyl)benzene
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
| Melting Point | 14.4 °C |
| Boiling Point | 247.2 °C at 760 mmHg |
| Density | 1.032 |
| Solubility | Miscible (NIOSH, 2024) |
| Flash Point | 117.2 °C |
| Vapor Pressure | 0.03 mmHg at 25.0 °C |
Chemical Identifiers
| CAS Number | 1477-55-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)CN)CN |
| InChIKey | FDLQZKYLHJJBHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间苯二甲胺 (CAS 1477-55-0), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: [3-(aminomethyl)phenyl]methanamine.
Chemical Property Profile of 间苯二甲胺
Property Insights of 间苯二甲胺
The XLogP value of -0.3 indicates that 间苯二甲胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, 间苯二甲胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间苯二甲胺 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 间苯二甲胺?
The CAS number of 间苯二甲胺 is 1477-55-0.
What is the molecular formula of 间苯二甲胺?
The molecular formula of 间苯二甲胺 is C8H12N2.
What is the molecular weight of 间苯二甲胺?
The molecular weight of 间苯二甲胺 is 136.10 g/mol.
Where can I buy 间苯二甲胺?
You can request a quote for 间苯二甲胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间苯二甲胺?
Yes, KEHONG BIO provides custom synthesis services for 间苯二甲胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.