1,4,7-Tritosyl-1,4,7,10-tetraazacyclododecane

Name: 1,4,7-Tritosyl-1,4,7,10-tetraazacyclododecane
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CAS No. 94530-07-1
Cat. No. CS-0462529
Molecule weight634.83
Purity≥98%
MDL No.MFCD27501025

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1,4,7-Tritosyl-1,4,7,10-tetraazacyclododecane|CS-0462529

Structure of 94530-07-1

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General Information

CAS No. 94530-07-1
Cat. No. CS-0462529
Purity ≥98%
MDL No. MFCD27501025
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₉H₃₈N₄O₆S₃
Molecular Weight 634.83
Synonym(s) 1,4,7-tris[(4-methylphenyl)sulfonyl]-1,4,7,10-Tetraazacyclododecane
SMILES CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCN(CC2)S(=O)(=O)C3=CC=C(C)C=C3)S(=O)(=O)C4=CC=C(C)C=C4

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 124.17
LogP 2.58756
H_Acceptors 7
H_Donors 1
Rotatable_Bonds 6

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1,4,7-Tritosyl-1,4,7,10-tetraazacyclododecane

CAS No. 94530-07-1

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