Basic information
- CAS
91-79-2- Standard SMILES
CN(C)CCN(Cc1ccsc1)c1ccccn1- InChIKey
RCGYDFVCAAKKNG-UHFFFAOYSA-N- Molecular formula
- C14H19N3S
- Average molar mass
- 261.39 g/mol
- Monoisotopic mass
- 261.12996879
Overview
Thenyldiamine is a dialkylarylamine and a tertiary amino compound.
Names & identifiers
- Preferred name
- Thenyldiamine
- IUPAC
- N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
- English name
- thenyldiamine
- Molecular formula
- C14H19N3S
- Molecular weight
- 261.39
Names & synonyms
THENYLDIAMINETenfidilThefanilThenfadil91-79-2DethylandiamineTenildiaminaThenyldiaminumNCI-C60640WIN-2848DTXSID00213352-((2-Dimethylaminoethyl)-3-thenylamino)pyridine
Show more names
thenyldiamine USP/EP/BPThenyldiamine Hydrochloride (Thenfadil)N,N-dimethyl-N-2-pyridyl-N-3-thenylethylenediamine2-dimethylaminoethyl-(2-pyridyl)-(3-thienylmethyl)amineN,N-Dimethyl-N'-(2-pyridinyl)-N'-(3-thienylmethyl)-1,2-ethanediamine
2-((2-(Dimethylamino)ethyl)-3-thenylamino)pyridineN-(2-Dimethylaminoethyl)-N-2-pyridyl-3-thenylamine1,2-Ethanediamine, N,N-dimethyl-N'-2-pyridinyl-N'-(3-thienylmethyl)-E4U52363JEPyridine, 2-((2-(dimethylamino)ethyl)-3-thenylamino)-DTXCID601335N-(alpha-Pyridyl)-N-(beta-thenyl)-N',N'-dimethylethylenediamineN,N-Dimethyl-N'-(alpha-pyridyl)-N'-(3-methylthienyl)ethylenediamine
Database identifiers
- CAS
91-79-2- PubChem CID
- 7066
- DTXSID
DTXSID0021335- ChEMBL
CHEMBL2107485- ChEBI
CHEBI:186232- UNII
- E4U52363JE
- EC Number
- 202-098-2
- Nikkaji
- J4.347H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Color/FormLIQUID
Boiling Point169-172 °C @ 1.0 MM HG
Refractive IndexINDEX OF REFRACTION: 1.5915 @ 20 °C/D
Other Experimental PropertiesBITTER TASTE; PH OF 1% AQ SOLN 6.5; MELTING POINT: 169.5-170 °C; CRYSTALS FROM METHANOL; SOL IN WATER UP TO 20%; SLIGHTLY SOL IN ALC /HYDROCHLORIDE/
Physicochemical properties
- Boiling point
- 1 · bp1.0 169-172°
- Density
- 1.1388 · 1.1388 (rough estimate)
- refractive index
- 20 · nD20 1.5915
- pka
- 3.94 · pKa 3.94(H2O t=25 c=0.002 to 0.01) (Uncertain);8.93 (Uncertain)
- Water Solubility
- 4.444 g/L · 4.444g/L(37.5 ºC)
- FDA UNII
- 4 U52363JE · E4U52363JE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazardous Substances Data
- 91 · 91-79-2(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Human Toxicity ExcerptsGASTROINTESTINAL SIDE EFFECTS ARE QUITE COMMON. /ETHYLENEDIAMINES/
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
- Hazardous Substances Data
- 91-79-2(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Metabolite PathwaysThenyldiamine H1-Antihistamine Action
Uses & manufacturing
UsesMEDICATION
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) 5.0X10+4 G-PRINCPL CUSTMS DISTS-AS HCL
(1979) 5.0X10+4 G-PRINCPL CUSTMS DISTS-AS HCL
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Consumption PatternsESSENTIALLY 100% AS AN ANTIHISTAMINIC AGENT (AS HYDROCHLORIDE)
Methods of Manufacturing
CONDENSATION OF N,N-DIMETHYLAMINOETHYL-ALPHA-AMINOPYRIDINE WITH 3-THENYL BROMIDE
PREPARED BY CONDENSING N,N-DIMETHYLAMINOETHYL-ALPHA-AMINOPYRIDINE WITH 3-PHENYL BROMIDE...
Formulations/PreparationsTHENYLDIAMINE CHLORIDE, THENYLDIAMINE HYDROCHLORIDE
Applications
UsesMedicine (as base for various salts, especially the hydrochloride).
Upstream & downstream products
Upstream raw materials
Suppliers6 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
华世药业（南京）有限公司025-57672321 13739186949 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Thenyldiamine is a dialkylarylamine and a tertiary amino compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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