1,4-Diaminobutanone
TL;DR: 1,4-Diaminobutanone (CAS 3660-09-1) is a chemical compound with molecular formula C4H10N2O and molecular weight 102.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diaminobutan-2-one
Also Known As: 1,4-diaminobutan-2-one, 1,4-Diamino-2-butanone, 1,4-Diaminobutanone, 1,4-Diamino-butan-2-on, 2-Butanone,1,4-diamino-
| Molecular Formula | C4H10N2O |
|---|---|
| Molecular Weight | 102.08 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.079315 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 3660-09-1 |
|---|---|
| SMILES | C(CN)C(=O)CN |
| InChIKey | ODANWMOQWMHGCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Diaminobutanone (CAS 3660-09-1), with molecular formula C4H10N2O and molecular weight 102.08 g/mol. IUPAC: 1,4-diaminobutan-2-one.
Chemical Property Profile of 1,4-Diaminobutanone
Property Insights of 1,4-Diaminobutanone
The XLogP value of -2.0 indicates that 1,4-Diaminobutanone 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 1,4-Diaminobutanone. Following Lipinski's Rule of Five, 1,4-Diaminobutanone 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 1,4-Diaminobutanone?
The CAS number of 1,4-Diaminobutanone is 3660-09-1.
What is the molecular formula of 1,4-Diaminobutanone?
The molecular formula of 1,4-Diaminobutanone is C4H10N2O.
What is the molecular weight of 1,4-Diaminobutanone?
The molecular weight of 1,4-Diaminobutanone is 102.08 g/mol.
Where can I buy 1,4-Diaminobutanone?
You can request a quote for 1,4-Diaminobutanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diaminobutanone?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diaminobutanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.