Products for Research Use Only
RegisterLogin

Allantoin

CAT: 1299-RM-A120100-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-A120100-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
97-59-6
Synonyms
1- (2,5-dioxoimidazolidin-4-yl) urea
Molecular Formula
C4H6N4O3
Molecular Weight
158.12
Target Alternative Name
Allantoin
Product Name Synonym
1- (2,5-dioxoimidazolidin-4-yl) urea

Chemical Information

Allantoin

Allantoin is an imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen. It has a role as a vulnerary, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is an imidazolidine-2,4-dione and a member of ureas. It is functionally related to a hydantoin. It is a tautomer of a 1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea.

CAS Number97-59-6
PubChem CID204
IUPAC Name(2,5-dioxoimidazolidin-4-yl)urea
Molecular FormulaC4H6N4O3
Molecular Weight158.12
XLogP-2.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity225
SMILES
C1(C(=O)NC(=O)N1)NC(=O)N
InChI
InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKey
POJWUDADGALRAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Allantoin
CAS: 97-59-6
CID: 204
Formula: C4H6N4O3
MW: 158.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.12
XLogP3-2.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass158.04399007
Monoisotopic Mass158.04399007
Topological Polar Surface Area113 Ų
Heavy Atom Count11
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N13551Allantoin, (-) -
T0925-01Allantoin
MBS5779507Allantoin, (-)-

Popular Products