rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(3-cyanophenyl)-1,3-pyrrolidinedicarboxylate

Name: rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(3-cyanophenyl)-1,3-pyrrolidinedicarboxylate
Brand: ChemScene
Availability: OutOfStock
Rating: 5 (1 reviews)

CAS No. 1161787-87-6
Cat. No. CS-0687970
Purity≥95%
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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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*For research and further manufacturing use only, not for direct human use.

rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(3-cyanophenyl)-1,3-pyrrolidinedicarboxylate|CS-0687970

Structure of 1161787-87-6

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General Information

CAS No. 1161787-87-6
Cat. No. CS-0687970
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₂₀N₂O₄
Molecular Weight 316.35
Synonym(s) None
SMILES OC([C@H]1[C@H](C2=CC(C#N)=CC=C2)CN(C1)C(OC(C)(C)C)=O)=O

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H319
Precautionary Statements : P264-P280-P305+P351+P338

Quality Control

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Computational Chemistry Data

TPSA 90.63
LogP 2.59338
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Amide

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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rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(3-cyanophenyl)-1,3-pyrrolidinedicarboxylate

CAS No. 1161787-87-6

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