1,3-环己烷二胺
TL;DR: 1,3-环己烷二胺 (CAS 3385-21-5) is a chemical compound with molecular formula C6H14N2 and molecular weight 114.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-环己烷二胺
cyclohexane-1,3-diamine
Also Known As: cyclohexane-1,3-diamine, 1,3-Diaminocyclohexane, 1,3-CYCLOHEXANEDIAMINE, hydroquinone, Cyclohex-1,3-ylenediamine
| Molecular Formula | C6H14N2 |
|---|---|
| Molecular Weight | 114.12 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.1157 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 3385-21-5 |
|---|---|
| SMILES | C1CC(CC(C1)N)N |
| InChIKey | GEQHKFFSPGPGLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-环己烷二胺 (CAS 3385-21-5), with molecular formula C6H14N2 and molecular weight 114.12 g/mol. IUPAC: cyclohexane-1,3-diamine.
Chemical Property Profile of 1,3-环己烷二胺
Property Insights of 1,3-环己烷二胺
The XLogP value of -0.3 indicates that 1,3-环己烷二胺 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, 1,3-环己烷二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-环己烷二胺 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 1,3-环己烷二胺?
The CAS number of 1,3-环己烷二胺 is 3385-21-5.
What is the molecular formula of 1,3-环己烷二胺?
The molecular formula of 1,3-环己烷二胺 is C6H14N2.
What is the molecular weight of 1,3-环己烷二胺?
The molecular weight of 1,3-环己烷二胺 is 114.12 g/mol.
Where can I buy 1,3-环己烷二胺?
You can request a quote for 1,3-环己烷二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-环己烷二胺?
Yes, KEHONG BIO provides custom synthesis services for 1,3-环己烷二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.