4-((3-Amino-1H-1,2,4-triazol-1-yl)methyl)benzoic acid

Name: 4-((3-Amino-1H-1,2,4-triazol-1-yl)methyl)benzoic acid
Brand: ChemScene
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CAS No. 869945-43-7
Cat. No. CS-0718264
Purity≥98%
MDL No.None

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Type	HazMat Fee
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+
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4-((3-Amino-1H-1,2,4-triazol-1-yl)methyl)benzoic acid|CS-0718264

Structure of 869945-43-7

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General Information

CAS No. 869945-43-7
Cat. No. CS-0718264
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀N₄O₂
Molecular Weight 218.21
Synonym(s) None
SMILES NC1=NN(CC2=CC=C(C=C2)C(O)=O)C=N1

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 94.03
LogP 0.6068
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-((3-Amino-1H-1,2,4-triazol-1-yl)methyl)benzoic acid

CAS No. 869945-43-7

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