2-Isobutyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

Name: 2-Isobutyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Brand: ChemScene
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CAS No. 896630-65-2
Cat. No. CS-0274289
Molecule weight245.27
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+

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2-Isobutyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid|CS-0274289

Structure of 896630-65-2

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General Information

CAS No. 896630-65-2
Cat. No. CS-0274289
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₅NO₃
Molecular Weight 245.27
Synonym(s) 2-Isobutyl-1-oxo-1,2-dihydro-isoquinoline-4-carboxylic acid
SMILES CC(C)CN1C=C(C2=CC=CC=C2C1=O)C(=O)O

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 59.3
LogP 2.3557
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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2-Isobutyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

CAS No. 896630-65-2

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