Related Product
Overview
Molecular Formula | C6H8Na3O7 |
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Chemical Name | Trisodium citrate |
Properties
Molecular Weight (g/mol) | 258.07 g/mol |
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SMILES Notation | [Na+].[Na+].[Na+].OC(=O)CC(O)(CC(O)=O)C(O)=O |
InChI String | InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1 |
InChI Key | HRXKRNGNAMMEHJ-UHFFFAOYSA-N |
IUPAC Name | Trisodium 2-hydroxypropane-1,2,3-tricarboxylate |
LogP (Partition Coefficient) | -1.3 |
Exact Mass (g/mol) | 258.073 g/mol |
Monoisotopic Mass (g/mol) | 258.073 g/mol |
Topological Polar Surface Area (Ų) | 140.62 Ų |
Molecular Complexity | 18.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Heavy Atom Count |
Product 2, C₈H₁₀N₄O₂
Product Code : 11200
CAS Number : 58-08-2
Overview
Molecular Formula | C11H17NO2 |
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Chemical Name | 91-99-6, M-TOLYLDIETHANOLAMINE |
Properties
Molecular Weight (g/mol) | 195.26 |
---|---|
SMILES Notation | CC1=CC(=CC=C1)N(CCO)CCO |
InChI String | InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3 |
InChI Key | VMNDRLYLEVCGAG-UHFFFAOYSA-N |
IUPAC Name | 2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol |
LogP (Partition Coefficient) | 1.4 |
Exact Mass (g/mol) | 195.125928785 |
Monoisotopic Mass (g/mol) | 195.125928785 |
Topological Polar Surface Area (Ų) | 43.7 |
Molecular Complexity | 146 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 5 |
Heavy Atom Count | 14 |
Product 3, C₉H₈O₄
Product Code : 11201
CAS Number : 50-78-2
Overview
Molecular Formula | C11H17NO2 |
---|---|
Chemical Name | 91-99-6, M-TOLYLDIETHANOLAMINE |
Properties
Molecular Weight (g/mol) | 195.26 |
---|---|
SMILES Notation | CC1=CC(=CC=C1)N(CCO)CCO |
InChI String | InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3 |
InChI Key | VMNDRLYLEVCGAG-UHFFFAOYSA-N |
IUPAC Name | 2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol |
LogP (Partition Coefficient) | 1.4 |
Exact Mass (g/mol) | 195.125928785 |
Monoisotopic Mass (g/mol) | 195.125928785 |
Topological Polar Surface Area (Ų) | 43.7 |
Molecular Complexity | 146 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 5 |
Heavy Atom Count | 14 |