Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-
Basic information
- CAS
17816-11-4- Standard SMILES
CN(C)c1ccc(C=Cc2ccc(N=C=S)cc2)cc1- InChIKey
AELFAHXWAPNOLB-UHFFFAOYSA-N- Molecular formula
- C17H16N2S
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.10341969
Names & identifiers
- Preferred name
- Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-
- IUPAC
- 4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethylaniline
- English name
- 4-Dimethylamino-4'-isothiocyanatostilbene
- Molecular formula
- C17H16N2S
- Molecular weight
- 280.39
Names & synonyms
Benzenamine, 4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethyl-NSC 218427Isothiocyanic acid, p-(p-(dimethylamino)styryl)phenyl esterDTXSID8066266Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-RefChem:561846DTXCID5035664Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-(9CI)17816-11-44-Dimethylamino-4'-isothiocyanostilbene6LEB227XF3
Show more names
4-Dimethylamino-4'-isothiocyanatostilbene4-DIMETHYLAMINO-4-ISOTHIOCYANATOSTILBENE 98%Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)- (9ci)
NSC-2184274-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethylanilineUNII-6LEB227XF3SCHEMBL51575604-[2-(4-Isothiocyanatophenyl)ethen-1-yl]-N,N-dimethylaniline4-[2-(4-Isothiocyanatophenyl)ethenyl]-N,N-dimethylbenzenamine
Database identifiers
- CAS
17816-11-4- PubChem CID
- 86627
- DTXSID
DTXSID8066266- UNII
- 6LEB227XF3
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 455.5 · 455.5±34.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 4.46 · 4.46±0.12(Predicted)
- FDA UNII
- 6 LEB227XF3 · 6LEB227XF3
- EPA Substance Registry System
- 4 · Benzenamine, 4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethyl- (17816-11-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…