4-Bromo-3-(((tert-butoxycarbonyl)(methyl)amino)methyl)-1-methyl-1H-pyrazole-5-carboxylic acid

Name: 4-Bromo-3-(((tert-butoxycarbonyl)(methyl)amino)methyl)-1-methyl-1H-pyrazole-5-carboxylic acid
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CAS No. 1454848-22-6
Cat. No. CS-0471472
Molecule weight348.19
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Bromo-3-(((tert-butoxycarbonyl)(methyl)amino)methyl)-1-methyl-1H-pyrazole-5-carboxylic acid|CS-0471472

Structure of 1454848-22-6

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General Information

CAS No. 1454848-22-6
Cat. No. CS-0471472
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₈BrN₃O₄
Molecular Weight 348.19
Synonym(s) 4-bromo-3-((tert-butoxycarbonyl(methyl)amino)methyl)-1-methyl-1H-pyrazole-5-carboxylic acid
SMILES CC(C)(C)OC(=O)N(C)CC1C(Br)=C(C(O)=O)N(C)N=1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 84.66
LogP 2.2477
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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4-Bromo-3-(((tert-butoxycarbonyl)(methyl)amino)methyl)-1-methyl-1H-pyrazole-5-carboxylic acid

CAS No. 1454848-22-6

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