Butalamine hydrochlorideProduct ingredient for Butalamine
- Name
- Butalamine hydrochloride
- Drug Entry
- Butalamine
- Accession Number
- DBSALT002903
- Structure
Structure for Butalamine hydrochloride (DBSALT002903)
- Synonyms
- Butalamine HCl
- External IDs
- LA 1221
- UNII
- Q7URG335CL
- CAS Number
- 56974-46-0
- Weight
- Average: 352.91
Monoisotopic: 352.2029893 - Chemical Formula
- C18H29ClN4O
- InChI Key
- ZCEDBAQIHPGWNW-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H28N4O.ClH/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16;/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21);1H
- IUPAC Name
- dibutyl({2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethyl})azanium chloride
- SMILES
- [Cl-].CCCC[NH+](CCCC)CCNC1=NC(=NO1)C1=CC=CC=C1
- External Links
- ChemSpider
- 38376
- Predicted Properties
Property Value Source Water Solubility 0.0103 mg/mL ALOGPS logP 1.34 ALOGPS logP 4.92 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 11.54 Chemaxon pKa (Strongest Basic) 8.24 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 55.39 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 118.54 m3·mol-1 Chemaxon Polarizability 38.9 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon