3-(4-Chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

Name: 3-(4-Chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Brand: ChemScene
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CAS No. 400073-91-8
Cat. No. CS-0575352
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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3-(4-Chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid|CS-0575352

Structure of 400073-91-8

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General Information

CAS No. 400073-91-8
Cat. No. CS-0575352
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₂H₂₂ClNO₃
Molecular Weight 383.87
Synonym(s) 3-(4-Chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
SMILES C1CCC(CC1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=C(C=C4)Cl

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 57.61
LogP 5.038
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Tetrahydroisoquinoline compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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3-(4-Chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

CAS No. 400073-91-8

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