tert-Butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate

Name: tert-Butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate
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CAS No. 851376-80-2
Cat. No. CS-0104360
Molecule weight253.30
Purity≥98%
MDL No.MFCD08669414

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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tert-Butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate|CS-0104360

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General Information

CAS No. 851376-80-2
Cat. No. CS-0104360
Purity ≥98%
MDL No. MFCD08669414
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₉N₃O₃
Molecular Weight 253.30
Synonym(s) 2,3,4,5,7,8-HEXAHYDRO-3-OXO-PYRAZOLO[3,4-D]AZEPINE-6(1H)-CARBOXYLIC ACID, T-BUTYL ESTER
SMILES O=C(N1CCC(NNC2=O)=C2CC1)OC(C)(C)C

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 78.19
LogP 1.0387
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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tert-Butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate

CAS No. 851376-80-2

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