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1-(2-Carboxyethyl)Adenine
[CAS# 64920-12-3]

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CAS#: 64920-12-3
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Identification
Name 1-(2-Carboxyethyl)Adenine
Synonyms 3-(6-Amino-1-Purinyl)Propanoic Acid; 3-(6-Aminopurin-1-Yl)Propionic Acid; 1-(2-Carboxyethyl)Adenine
Molecular Structure CAS#: 64920-12-3, 1-(2-Carboxyethyl)Adenine
Molecular Formula C8H9N5O2
Molecular Weight 207.19
CAS Registry Number 64920-12-3
SMILES C([N]2C(=C1N=CN=C1N=C2)N)CC(O)=O
InChI 1S/C8H9N5O2/c9-7-6-8(11-3-10-6)12-4-13(7)2-1-5(14)15/h3-4H,1-2,9H2,(H,14,15)
InChIKey GIUJERYETBHNEB-UHFFFAOYSA-N
Properties
Density 1.717g/cm3 (Cal.)
Boiling point 404.846°C at 760 mmHg (Cal.)
Flash point 198.644°C (Cal.)
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