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1355170-97-6

1355170-97-6 Structure

1355170-97-6 Structure
IdentificationBack Directory
[Name]

5-(Tert-Butoxycarbonyl)-5,6,7,8-Tetrahydro-4H-Pyrazolo[1,5-A][1,4]Diazepine-2-Carboxylic Acid(WX141418)
[CAS]

1355170-97-6
[Synonyms]

5-[(tert-butoxy)carbonyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
5-(Tert-Butoxycarbonyl)-5,6,7,8-Tetrahydro-4H-Pyrazolo[1,5-A][1,4]Diazepine-2-Carboxylic Acid
4H-Pyrazolo[1,5-a][1,4]diazepine-2,5(6H)-dicarboxylic acid, 7,8-dihydro-, 5-(1,1-dimethylethyl) ester
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
5-(Tert-Butoxycarbonyl)-5,6,7,8-Tetrahydro-4H-Pyrazolo[1,5-A][1,4]Diazepine-2-Carboxylic Acid(WX141418)
[Molecular Formula]

C13H19N3O4
[MDL Number]

MFCD18074498
[MOL File]

1355170-97-6.mol
[Molecular Weight]

281.31
Chemical PropertiesBack Directory
[Boiling point ]

478.7±40.0 °C(Predicted)
[density ]

1.32±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[form ]

solid
[pka]

4.06±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-5-4-6-16-9(8-15)7-10(14-16)11(17)18/h7H,4-6,8H2,1-3H3,(H,17,18)
[InChIKey]

BAOVIKKQYWXNLP-UHFFFAOYSA-N
[SMILES]

N12N=C(C(O)=O)C=C1CN(C(OC(C)(C)C)=O)CCC2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H315-H317-H319-H410
[Precautionary statements ]

P261-P264-P273-P280-P280-P391
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
Spectrum DetailBack Directory
[Spectrum Detail]

5-(Tert-Butoxycarbonyl)-5,6,7,8-Tetrahydro-4H-Pyrazolo[1,5-A][1,4]Diazepine-2-Carboxylic Acid(WX141418)(1355170-97-6)1HNMR
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