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Chemical structure of Adenine monohydrochloride hemihydrate

GC62828

Adenine monohydrochloride hemihydrate

Also known as 7H-purin-6-amine;hydrate;hydrochloride

Adenine monohydrochloride hemihydrate is an endogenous metabolite

ChemicalCAS6055-72-7MW189.6FormulaC5H8ClN5O
CAS number
6055-72-7
Molecular weight
189.6
Formula
C5H8ClN5O
Solubility
DMSO ： 8·33 mg/mL (43·93 mM; ultrasonic and warming and heat to 60°C)
InChIKey
MYRDTAUFFBYTHA-UHFFFAOYSA-N
Catalogue number
GC62828
Brand
GLPBIO
Computed properties PubChem CID 24211900 · TPSA 81.5 Ų · H-bond donors 4 · H-bond acceptors 5
TPSA
81.5 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
12

SMILES C1=NC2=NC=NC(=C2N1)N.O.Cl

Computed descriptors from PubChem (CID 24211900), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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