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20662-53-7

20662-53-7 Structure

20662-53-7 Structure
IdentificationMore
[Name]

4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE
[CAS]

20662-53-7
[Synonyms]

1,3-DIHYDRO-1-(4-PIPERIDINYL)-2H-BENZIMIDAZOL-2-ONE
1-(4-PIPERIDYL)-2-BENZIMIDAZOLINONE
1-PIPERIDIN-4-YL-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE
4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE
4-(2-KETO-1-BENZIMIDOZOLINYL)-PIPERIDINE
AKOS BBS-00006899
1-(4-piperidyl)-1H-benzimidazol-2(3H)-one
4-(2-oxobenzimidazolin-1-yl)piperidine
1-(4-Piperidinyl)-1H-benzimidazole-2(3H)-one
1-(4-Piperidinyl)-2,3-dihydro-1H-benzimidazole-2-one
1-(Piperidine-4-yl)-1H-benzimidazole-2(3H)-one
1-(Piperidine-4-yl)-2,3-dihydro-1H-benzimidazole-2-one
3-(Piperidine-4-yl)-1H-benzimidazole-2(3H)-one
[EINECS(EC#)]

243-950-3
[Molecular Formula]

C12H15N3O
[MDL Number]

MFCD00005714
[Molecular Weight]

217.27
[MOL File]

20662-53-7.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to slightly yellow powder
[Melting point ]

183-185 °C (lit.)
[Boiling point ]

357.82°C (rough estimate)
[density ]

1.1005 (rough estimate)
[refractive index ]

1.5290 (estimate)
[storage temp. ]

2-8°C, protect from light
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Powder
[pka]

12.06±0.30(Predicted)
[color ]

Off-white to slightly yellow
[InChI]

InChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
[InChIKey]

BYNBAMHAURJNTR-UHFFFAOYSA-N
[SMILES]

C1(=O)N(C2CCNCC2)C2=CC=CC=C2N1
[CAS DataBase Reference]

20662-53-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H319-H335
[Precautionary statements ]

P301+P310+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

T
[Risk Statements ]

R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

6.1
[HS Code ]

29333999
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Tetrahydrofuran-->Dichloromethane-->N,N-Dimethylformamide-->Sodium sulfate-->Triethylamine-->Sodium chloride-->Sodium bicarbonate-->Trifluoroacetic acid-->Ammonium bicarbonate-->Triphosgene-->Isopropyl acetate-->Palladium (II) Acetate-->2-Chloroaniline-->4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene-->Sodium triacetoxyborohydride-->ATTO 565-->1-Fluoro-2-nitrobenzene-->N-Carbethoxy-4-piperidone-->Ethyl 4-amino-1-piperidinecarboxylate-->Chlorosulfonyl isocyanate
Hazard InformationBack Directory
[Chemical Properties]

off-white to slightly yellow powder
[Uses]

4-(2-Keto-1-benzimidazolinyl)piperidine was used to study the structure–activity relationships with several potent and selective analogues.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE(20662-53-7)1HNMR
4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE(20662-53-7)Raman
4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE(20662-53-7)FT-IR
4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE(20662-53-7)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(2-Keto-1-benzimidazolinyl)piperidine, 97%(20662-53-7)
[Sigma Aldrich]

20662-53-7(sigmaaldrich)
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