2-氧代三亚甲基二铵二氯化物
TL;DR: 2-氧代三亚甲基二铵二氯化物 (CAS 61798-04-7) is a chemical compound with molecular formula C3H10Cl2N2O and molecular weight 160.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氧代三亚甲基二铵二氯化物
1,3-diaminopropan-2-one;dihydrochloride
Also Known As: 1,3-DIAMINOACETONE DIHYDROCHLORIDE, Diamino-acetone dihydrochloride, 1,3-diaminopropan-2-one dihydrochloride, 2-Propanone, 1,3-diamino-, dihydrochloride, 2-Oxotrimethylenediammonium dichloride
| Molecular Formula | C3H10Cl2N2O |
|---|---|
| Molecular Weight | 160.02 g/mol |
| LogP | -0.6835 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.01701 |
| Heavy Atoms | 8 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 61798-04-7 |
|---|---|
| SMILES | C(C(=O)CN)N.Cl.Cl |
| InChIKey | GAOYTRAZVCVBEF-UHFFFAOYSA-N |
Product Overview
2-氧代三亚甲基二铵二氯化物 (CAS 61798-04-7), with molecular formula C3H10Cl2N2O and molecular weight 160.02 g/mol. IUPAC: 1,3-diaminopropan-2-one;dihydrochloride.
Chemical Property Profile of 2-氧代三亚甲基二铵二氯化物
Property Insights of 2-氧代三亚甲基二铵二氯化物
The XLogP value of -0.6835 indicates that 2-氧代三亚甲基二铵二氯化物 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 2-氧代三亚甲基二铵二氯化物. Following Lipinski's Rule of Five, 2-氧代三亚甲基二铵二氯化物 has 4 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 2-氧代三亚甲基二铵二氯化物?
The CAS number of 2-氧代三亚甲基二铵二氯化物 is 61798-04-7.
What is the molecular formula of 2-氧代三亚甲基二铵二氯化物?
The molecular formula of 2-氧代三亚甲基二铵二氯化物 is C3H10Cl2N2O.
What is the molecular weight of 2-氧代三亚甲基二铵二氯化物?
The molecular weight of 2-氧代三亚甲基二铵二氯化物 is 160.02 g/mol.
Where can I buy 2-氧代三亚甲基二铵二氯化物?
You can request a quote for 2-氧代三亚甲基二铵二氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氧代三亚甲基二铵二氯化物?
Yes, KEHONG BIO provides custom synthesis services for 2-氧代三亚甲基二铵二氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.