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U806

Undecanoic γ-lactone

Name: Undecanoic γ-lactone
Brand: ALDRICH

99%

Synonym(s):

Aldehyde C₁₄

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About This Item

Empirical Formula (Hill Notation):

C₁₁H₂₀O₂

CAS Number:

104-67-6

Molecular Weight:

184.28

NACRES:

NA.22

PubChem Substance ID:

24900667

UNSPSC Code:

12352100

EC Number:

203-225-4

MDL number:

MFCD00005405

Assay:

99%

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Properties

Quality Level

100

assay

99%

refractive index

n20/D 1.45 (lit.)

bp

164-166 °C/13 mmHg (lit.)

density

0.949 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCC1CCC(=O)O1

InChI

1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3

InChI key

PHXATPHONSXBIL-UHFFFAOYSA-N

Gene Information

human ... CYP1A2(1544)

Description

hcodes

H412

pcodes

P273 - P501

Hazard Classifications

Aquatic Chronic 3

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

293.0 °F - closed cup

flash_point_c

145 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.

Laura E Korhonen et al.

Journal of medicinal chemistry, 48(11), 3808-3815 (2005-05-27)

The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors and to use this model to predict the