Thenyldiamine hydrochlorideProduct ingredient for Thenyldiamine
- Name
- Thenyldiamine hydrochloride
- Drug Entry
- Thenyldiamine
- Accession Number
- DBSALT003137
- Structure
Structure for Thenyldiamine hydrochloride (DBSALT003137)
- Synonyms
- Thenyldiamine HCl
- External IDs
- 213-490-8
- UNII
- 7ZQC1892H9
- CAS Number
- 958-93-0
- Weight
- Average: 297.85
Monoisotopic: 297.1066465 - Chemical Formula
- C14H20ClN3S
- InChI Key
- OQWLDKFPOJCKBX-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H19N3S.ClH/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14;/h3-7,10,12H,8-9,11H2,1-2H3;1H
- IUPAC Name
- dimethyl({2-[(pyridin-2-yl)[(thiophen-3-yl)methyl]amino]ethyl})azanium chloride
- SMILES
- [Cl-].C[NH+](C)CCN(CC1=CSC=C1)C1=NC=CC=C1
- External Links
- ChemSpider
- 13139
- Predicted Properties
Property Value Source Water Solubility 0.0207 mg/mL ALOGPS logP -0.85 ALOGPS logP 2.98 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) 8.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 20.57 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 89.4 m3·mol-1 Chemaxon Polarizability 29.86 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon