Luminol 97% For Synthesis

CAT: 1278-01570 00005Size: 5 gDry Ice: NoHazardous: No

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CAT#:1278-01570 00005Size:5 g

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CAS Number

521-31-3

HS Code

29339990

Packaging Group

Chemical Information

Luminol

O-aminophthalyl hydrazide appears as yellow crystals or light beige powder. (NTP, 1992)

CAS Number	521-31-3
PubChem CID	10638
IUPAC Name	5-amino-2,3-dihydrophthalazine-1,4-dione
Molecular Formula	C8H7N3O2
Molecular Weight	177.16
XLogP	0.3
Topological Polar Surface Area	84.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	254

SMILES

C1=CC2=C(C(=C1)N)C(=O)NNC2=O

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

Chemical Structure

2D Structure

CAS: 521-31-3

CID: 10638

Formula: C8H7N3O2

MW: 177.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.16
XLogP3	0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	177.053826475
Monoisotopic Mass	177.053826475
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	254
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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