ChemicalBook--->CAS DataBase List--->170842-80-5

170842-80-5

170842-80-5 Structure

170842-80-5 Structure
IdentificationBack Directory
[Name]

3-BENZYL-PIPERIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 3-ETHYL ESTER
[CAS]

170842-80-5
[Synonyms]

1-BOC-3-benzylpiperidin-3-ethyl formate
Ethyl1-Boc-3-benzylpiperidine-3-carboxylate,95%
Ethyl 1-Boc-3-benzylpiperidine-3-carboxylate, 95%
1-tert-Butyl 3-ethyl 3-benzylpiperidine-1,3-dicarboxylate
1-O-tert-butyl 3-O-ethyl 3-benzylpiperidine-1,3-dicarboxylate
1-BOC-3-(PHENYLMETHYL)-3-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
3-BENZYL-PIPERIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 3-ETHYL ESTER
1,3-Piperidinedicarboxylic acid, 3-(phenylMethyl)-, 1-(1,1-diMethylethyl) 3-ethyl ester
[Molecular Formula]

C20H29NO4
[MDL Number]

MFCD11500859
[MOL File]

170842-80-5.mol
[Molecular Weight]

347.452
Chemical PropertiesBack Directory
[Boiling point ]

431.8±38.0 °C(Predicted)
[density ]

1.101±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

-2.40±0.40(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C20H29NO4/c1-5-24-17(22)20(14-16-10-7-6-8-11-16)12-9-13-21(15-20)18(23)25-19(2,3)4/h6-8,10-11H,5,9,12-15H2,1-4H3
[InChIKey]

ZTGGNYIHGLOCJH-UHFFFAOYSA-N
[SMILES]

N1(CC(CCC1)(Cc2ccccc2)C(=O)OCC)C(=O)OC(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P301+P310
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
[Storage Class]

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

Acute Tox. 3 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

3-BENZYL-PIPERIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 3-ETHYL ESTER(170842-80-5)1HNMR
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