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Guanine hydrochloride

CAT: 0926-FG09642-01Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FG09642-01Size:0.1 Kg
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CAS Number
635-39-2
MDL Number
MFCD00213670
Smiles
C1=NC2=C (N1) C (=O) NC (=N2) N.Cl
Molecular Formula
C5H5N5O•HCl
Molecular Weight
187.59 g/mol
Controlled
No

Chemical Information

6H-Purin-6-one, 2-amino-1,9-dihydro-, hydrochloride (1:1)
CAS Number635-39-2
PubChem CID135436483
IUPAC Name2-amino-1,7-dihydropurin-6-one;hydrochloride
Molecular FormulaC5H6ClN5O
Molecular Weight187.59
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity225
SMILES
C1=NC2=C(N1)C(=O)NC(=N2)N.Cl
InChI
InChI=1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H
InChIKey
IBAOFQIOOBQLHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6H-Purin-6-one, 2-amino-1,9-dihydro-, hydrochloride (1:1)
CAS: 635-39-2
CID: 135436483
Formula: C5H6ClN5O
MW: 187.59
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight187.59
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass187.0260875
Monoisotopic Mass187.0260875
Topological Polar Surface Area96.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes