CAS 521-31-3|luminol|5-Amino-2,3-dihydrophthalazine-1,4-dione|5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione|3-Aminophthalhydrazide (Luminol)|3-氨基邻苯二甲酰肼|鲁米诺|5-氨基-2,3-二氢-1,4-二氮杂萘二...

General Information

Structure

Molecular Formula

C₈H₇N₃O₂

Molecular Mass

177.16008

Exact Mass

177.05382648

Charge

InChI

InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)

InChIKey

HWYHZTIRURJOHG-UHFFFAOYSA-N

Canonic Smiles

Nc1cccc2c1c(=O)[nH][nH]c2=O

Isomeric Smiles

[nH]1c(=O)c2cccc(c2c(=O)[nH]1)N

Calculated Properties

JChem

Acid pKa

13.712731

H Acceptors

H Donor

LogD (pH = 5.5)

-0.063616656

LogD (pH = 7.4)

-0.063561484

Log P

-0.06356059

Molar Refractivity

47.3152

Polarizability

16.49056

Polar Surface Area

84.22

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

luminol 5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione

Synonyms

5-Amino-2,3-dihydrophthalazine-1,4-dione3-Aminophthalhydrazide (Luminol)3-氨基邻苯二甲酰肼鲁米诺5-氨基-2,3-二氢-1,4-二氮杂萘二酮5-Amino-2,3-dihydro-1,4-phthalazinedioneLuminol3-Aminophthalhydrazide3-Aminophthalic hydrazide3-氨基邻苯二甲酰肼Luminol3-Aminophthalhydrazide5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dioneo-Aminophthaloyl hydrazideLuminolo-Aminophthalyl hydrazide3-Aminophthalhydrazide

IUPAC name

5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione

Names and Identifiers

Registration numbers

MDL Number

MFCD00006890

CAS Number

521-31-3

Beilstein Number

383929

PubChem SID

2489134324847519162040152

Wikipedia Title

Chemspider ID

PubChem CID

CHEMBL

EC Number

Merck Index

Registration numbers

Properties

Physical Property

Melting Point

319°C

>300 °C(lit.)

325-330°C

Hydrophobicity(logP)

-0.469

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

Wikipedia

Luminol

Sigma Aldrich

123072

Features and Benefits
Used for chemiluminescence analysis1,2 of, for example, metal cations,3 blood,4 and glucococorticoids.5
Packaging
2.5, 5 g in glass bottle
25 g in poly bottle

A8511

Features and Benefits
Used for chemiluminescence analysis1,2 of, for example, metal cations,3 blood,4 and glucococorticoids.5
Packaging
5, 25 g in glass bottle

09253

Analysis Note
luminescence test: Emmax 440 nm (chemiluminescence; in 60 mM K2S2O8, 100 mM K2CO3, pH 11.5; after addition of H2O2)
Features and Benefits
Used for chemiluminescence analysis1,2 of, for example, metal cations,3 blood,4 and glucococorticoids.5

18-1760

Features and Benefits
Used for chemiluminescence analysis1,2 of, for example, metal cations,3 blood,4 and glucococorticoids.5

Molecule Details

References

PubChem Literature

From Data Sources

• Huntress, E.H. et al., J.A.C.S., 1934, 56, 241

• Aldrich Library of NMR Spectra, 2nd edn., 1983, 2, 365A, (nmr)

• Org. Synth., 1949, 29, 78

• White, E.H. et al., J.A.C.S., 1964, 86, 941

• White, E.H. et al., Acc. Chem. Res., 1970, 3, 54, (rev)

• Aldrich Library of FT-IR Spectra, 1st edn., 1985, 2, 384D, (ir)

• Reagent for the generation of chemiluminescence.

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

luminol 5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione

Synonyms

IUPAC name

5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione

Registration numbers

MDL Number

MFCD00006890

CAS Number

521-31-3

Beilstein Number

383929

PubChem SID

2489134324847519162040152

Wikipedia Title

Chemspider ID

PubChem CID

CHEMBL

EC Number

Merck Index

Molecule Details

Luminol

123072

Features and Benefits
Used for chemiluminescence analysis1,2 of, for example, metal cations,3 blood,4 and glucococorticoids.5
Packaging
2.5, 5 g in glass bottle
25 g in poly bottle

A8511

Features and Benefits
Used for chemiluminescence analysis1,2 of, for example, metal cations,3 blood,4 and glucococorticoids.5
Packaging
5, 25 g in glass bottle

09253

18-1760

Features and Benefits
Used for chemiluminescence analysis1,2 of, for example, metal cations,3 blood,4 and glucococorticoids.5

References

PubChem Literature

From Data Sources

• Huntress, E.H. et al., J.A.C.S., 1934, 56, 241

• Aldrich Library of NMR Spectra, 2nd edn., 1983, 2, 365A, (nmr)

• Org. Synth., 1949, 29, 78

• White, E.H. et al., J.A.C.S., 1964, 86, 941

• White, E.H. et al., Acc. Chem. Res., 1970, 3, 54, (rev)

• Aldrich Library of FT-IR Spectra, 1st edn., 1985, 2, 384D, (ir)

• Reagent for the generation of chemiluminescence.

Bioactivity

PubChem BioAssay

Properties

Physical Property

Melting Point

319°C

>300 °C(lit.)

325-330°C

Hydrophobicity(logP)

-0.469

Molecule

ID:75234