Basic information
- CAS
958-93-0- Standard SMILES
C[NH+](C)CCN(Cc1ccsc1)c1ccccn1.[Cl-]- InChIKey
OQWLDKFPOJCKBX-UHFFFAOYSA-N- Molecular formula
- C14H20ClN3S
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.1066465
Overview
See also: Thenyldiamine Hydrochloride (preferred); Thenyldiamine (has active moiety).
Names & identifiers
- Preferred name
- Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
- IUPAC
- dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride
- English name
- thenyldiamine hydrochloride
- Molecular formula
- C14H19N3S.ClH
- Molecular weight
- 297.852
Names & synonyms
dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chlorideThenfadil hydrochloridethenyldiamine hydrochlorideN,N-dimethyl-N'-[2]pyridyl-N'-[3]thienylmethyl-ethylenediamineN,N-Dimethyl-N'-(3-thenyl)-N'-(2-pyridyl)ethylenediamine hydrochloride
Database identifiers
- CAS
958-93-0- PubChem CID
- 13734
Properties
Computed structural properties
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 169.5 · 169.5-170 °C
- FDA 21 CFR
- 310.545 · 310.545
- FDA UNII
- 7 ZQC1892H9 · 7ZQC1892H9
- EPA Substance Registry System
- Thenyldiamine hydrochloride (958-93-0)
Chemistry & industry
Applications
General DescriptionWhite powder with a bitter taste. Melting point 169.5-170°C. Used as an antihistaminic.
Suppliers5 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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