Toluene-4-sulfonic acid (R)-1-benzyl-pyrrolidin-3-yl ester

Name: Toluene-4-sulfonic acid (R)-1-benzyl-pyrrolidin-3-yl ester
Brand: ChemScene
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CAS No. 116183-80-3
Cat. No. CS-0707487
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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Toluene-4-sulfonic acid (R)-1-benzyl-pyrrolidin-3-yl ester|CS-0707487

Structure of 116183-80-3

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General Information

CAS No. 116183-80-3
Cat. No. CS-0707487
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₂₁NO₃S
Molecular Weight 331.43
Synonym(s) None
SMILES CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]1CCN(CC2=CC=CC=C2)C1

Safety Information

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GHS Pictogram :	GHS No : GHS06,GHS08
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 46.61
LogP 2.97482
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Toluene-4-sulfonic acid (R)-1-benzyl-pyrrolidin-3-yl ester

CAS No. 116183-80-3

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