Basic information
- CAS
7084-07-3- Standard SMILES
C[NH+](C)CCN(Cc1cccs1)c1ccccc1.[Cl-]- InChIKey
FWYFIIQCOLEFQP-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2S
- Average molar mass
- 296.9 g/mol
- Monoisotopic mass
- 296.1113975
Overview
See also: Methaphenilene Hydrochloride (preferred); Methaphenilene (has active moiety).
Names & identifiers
- Preferred name
- Enstamine
- IUPAC
- dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride
Names & synonyms
DiatrineEnstamineNilistineW 50 hydrochlorideDiatrine hydrochlorideMethaphenilen hydrochloridedimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium;chlorideNSC 516334UNII-DK0OIL461ZMethaphenilene hydrochloride [NF]N,N-Dimethyl-N'-(alpha-thenyl)-N'-phenethylenediamine hydrochloride1,2-Ethanediamine, N,N-dimethyl-N'-phenyl-N'-(2-thienylmethyl)-, monohydrochloride
Show more names
ETHYLENEDIAMINE, N,N-DIMETHYL-N'-PHENYL-N'-2-THENYL-, MONOHYDROCHLORIDE
Database identifiers
- CAS
7084-07-3- PubChem CID
- 23489
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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