N-Benzyl-4H-1,2,4-triazol-4-amine

Name: N-Benzyl-4H-1,2,4-triazol-4-amine
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CAS No. 6111-75-7
Cat. No. CS-0306237
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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N-Benzyl-4H-1,2,4-triazol-4-amine|CS-0306237

Structure of 6111-75-7

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General Information

CAS No. 6111-75-7
Cat. No. CS-0306237
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀N₄
Molecular Weight 174.20
Synonym(s) 4-Benzylamino-4H-1,2,4-triazole
SMILES N1(NCC2=CC=CC=C2)C=NN=C1

Synthesis

Route1
- 18998-48-6
- ~84%
- 6111-75-7
References
- Katritzky, Alan R.; Laurenzo, Kathleen S. Journal of Organic Chemistry, 1988 , vol. 53, # 17 p. 3978 - 3982
Route2
- 100-52-7
- ~%
- 6111-75-7
References
- Salazar, Loreto; Espada, Modesta; Avendano, Carmen; Claramunt, Rosa Maria; Sanz, Dionisia; Elguero, Jose Journal of Organic Chemistry, 1992 , vol. 57, # 5 p. 1563 - 1567

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 42.74
LogP 1.0218
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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N-Benzyl-4H-1,2,4-triazol-4-amine

CAS No. 6111-75-7

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