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4-Aminophthalhydrazide

CAT: 0572-TRC-A627708-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A627708-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3682-14-2
Synonyms
7-Amino-4-hydroxy-1(2H)-phthalazinone; 4-Luminol; 6-Amino-2,3-dihydro-1,4-phthalazinedione; Isoluminol; NSC 13567;
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
Nc1ccc2C(=O)NNC(=O)c2c1
Molecular Formula
C8H7N3O2
Molecular Weight
177.16
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Isoluminol

chemiluminescent label

CAS Number3682-14-2
PubChem CID95014
IUPAC Name6-amino-2,3-dihydrophthalazine-1,4-dione
Molecular FormulaC8H7N3O2
Molecular Weight177.16
XLogP-0.2
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity254
SMILES
C1=CC2=C(C=C1N)C(=O)NNC2=O
InChI
InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2,(H,10,12)(H,11,13)
InChIKey
HUDPLKWXRLNSPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoluminol
CAS: 3682-14-2
CID: 95014
Formula: C8H7N3O2
MW: 177.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight177.16
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass177.053826475
Monoisotopic Mass177.053826475
Topological Polar Surface Area84.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes