Tuaminoheptane sulfateProduct ingredient for Tuaminoheptane
- Name
- Tuaminoheptane sulfate
- Drug Entry
- Tuaminoheptane
- Accession Number
- DBSALT003132
- Structure
Structure for Tuaminoheptane sulfate (DBSALT003132)
- Synonyms
- Tuamine sulfate / Tuaminoheptane sulfate / Tuaminoheptane sulphate
- External IDs
- 229-113-5 / NSC-27117
- UNII
- WZK5LN5CNW
- CAS Number
- 6411-75-2
- Weight
- Average: 328.51
Monoisotopic: 328.239578821 - Chemical Formula
- C14H36N2O4S
- InChI Key
- XKUUMWKWUZRRPD-UHFFFAOYSA-N
- InChI
- InChI=1S/2C7H17N.H2O4S/c2*1-3-4-5-6-7(2)8;1-5(2,3)4/h2*7H,3-6,8H2,1-2H3;(H2,1,2,3,4)
- IUPAC Name
- bis(heptan-2-amine); sulfuric acid
- SMILES
- OS(O)(=O)=O.CCCCCC(C)N.CCCCCC(C)N
- External Links
- ChemSpider
- 21464
- ChEMBL
- CHEMBL3560769
- Predicted Properties
Property Value Source Water Solubility 3.29 mg/mL ALOGPS logP 2.46 ALOGPS logP 2 Chemaxon logS -1.5 ALOGPS pKa (Strongest Basic) 10.43 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 26.02 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 37.41 m3·mol-1 Chemaxon Polarizability 15.63 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon