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Ammeline

CAT: 1596-AR-A03066-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A03066-04Size:100 Units
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CAS Number
645-92-1
Synonyms
4,6-Diamino-1,3,5-triazin-2 (1H) -one; 2,4-Diamino-6-hydroxy-1,3,5-triazine; 2,4-Diamino-6-hydroxy-s-triazine; 2-Hydroxy-4,6-diamino-s-triazine; Ammelin; Deethyldeisopropylhydroxyyatrazine; GS 11791; NSC 9778; s-Diaminohydroxytriazine
Molecular Formula
C3H5N5O
Molecular Weight
127.11
API Name
Azacitidine

Chemical Information

Ammeline

Ammeline is a diamino-1,3,5-triazine and a monohydroxy-1,3,5-triazine.

CAS Number645-92-1
PubChem CID135408770
IUPAC Name4,6-diamino-1H-1,3,5-triazin-2-one
Molecular FormulaC3H5N5O
Molecular Weight127.11
XLogP-1.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity204
SMILES
C1(=NC(=NC(=O)N1)N)N
InChI
InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
InChIKey
MASBWURJQFFLOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ammeline
CAS: 645-92-1
CID: 135408770
Formula: C3H5N5O
MW: 127.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight127.11
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass127.04940980
Monoisotopic Mass127.04940980
Topological Polar Surface Area106 Ų
Heavy Atom Count9
Formal Charge0
Complexity204
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