1,3-Dimethyl-2-(2-thienyl)imidazolidine

HCID 2797481

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Basic information

CAS: 104208-13-1
Standard SMILES: CN1CCN(C)C1c1cccs1
InChIKey: HIHONCXGFIYIJX-UHFFFAOYSA-N
Molecular formula: C9H14N2S
Average molar mass: 182.29 g/mol
Monoisotopic mass: 182.08776963

Names & identifiers

Preferred name: 1,3-Dimethyl-2-(2-thienyl)imidazolidine
IUPAC: 1,3-dimethyl-2-thiophen-2-ylimidazolidine
English name: 1,3-Dimethyl-2-(2-thienyl)imidazolidine
Molecular formula: C9H14N2S
Molecular weight: 182.29

Names & synonyms

104208-13-11,3-Dimethyl-2-(2-thienyl)imidazolidineDTXSID30383919RefChem:218715DTXCID50334943679-799-91,3-dimethyl-2-(thiophen-2-yl)imidazolidine1,3-dimethyl-2-thiophen-2-ylimidazolidineMFCD001916361,3-dimethyl-2-thiophen-2-yl-imidazolidineSCHEMBL2656962AKOS015909416

Show more names

DimethylthienylimidazolineImidazolidine, 1,3-dimethyl-2-(2-thienyl)-1,3-Dimethyl-2-(2-thienyl)imidazolidine ,97%1,3-dimethyl-2-thiophen-2-yl-4,5-dihydroimidazol-1-ium

AS-812041,3-dimethyl-2-(2-thienyl)-imidazolidineDB-002367CS-0321422D22891,3-DIMETHYL-2-(2-THIENYL)IMIDAZOLINED90031F239241

Database identifiers

CAS: 104208-13-1
PubChem CID: 2797481
DTXSID: DTXSID30383919
EC Number: 679-799-9
Nikkaji: J534.075F

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 34.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Physicochemical properties

Boiling point: 81 °C · 81 °C(Press: 0.5 Torr)
Density: 1.108 · 1.108±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 6.52 · 6.52±0.40(Predicted)
color: Light orange to Yellow to Green
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

hs_code: 29349990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313