1,3-Diaminoacetone
TL;DR: 1,3-Diaminoacetone (CAS 23645-02-5) is a chemical compound with molecular formula C3H8N2O and molecular weight 88.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diaminopropan-2-one
Also Known As: 1,3-diaminopropan-2-one, 1,3-diaminoacetone, 1,3-diamino-acetone, 1,3-diamino-2-propanone, starbld0042513
| Molecular Formula | C3H8N2O |
|---|---|
| Molecular Weight | 88.06 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.06366 |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 23645-02-5 |
|---|---|
| SMILES | C(C(=O)CN)N |
| InChIKey | RSBQFKJVGZVGFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diaminoacetone (CAS 23645-02-5), with molecular formula C3H8N2O and molecular weight 88.06 g/mol. IUPAC: 1,3-diaminopropan-2-one.
Chemical Property Profile of 1,3-Diaminoacetone
Property Insights of 1,3-Diaminoacetone
The XLogP value of -1.9 indicates that 1,3-Diaminoacetone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diaminoacetone. Following Lipinski's Rule of Five, 1,3-Diaminoacetone has 2 hydrogen bond donor(s) and 3 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-Diaminoacetone?
The CAS number of 1,3-Diaminoacetone is 23645-02-5.
What is the molecular formula of 1,3-Diaminoacetone?
The molecular formula of 1,3-Diaminoacetone is C3H8N2O.
What is the molecular weight of 1,3-Diaminoacetone?
The molecular weight of 1,3-Diaminoacetone is 88.06 g/mol.
Where can I buy 1,3-Diaminoacetone?
You can request a quote for 1,3-Diaminoacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diaminoacetone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diaminoacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.