2-Amino-9-[[(2S)-2-(Hydroxymethyl)Cyclohexyl]Methyl]-3H-Purin-6-One
[CAS# 129982-32-7]

Identification

• Name: 2-Amino-9-[[(2S)-2-(Hydroxymethyl)Cyclohexyl]Methyl]-3H-Purin-6-One
• Synonyms: 2-Amino-9-[[(2S)-2-Methylolcyclohexyl]Methyl]-3H-Purin-6-One; 6H-Purin-6-One, 2-Amino-1,9-Dihydro-9-((2-(Hydroxymethyl)Cyclohexyl)Methyl)-, Cis-(+-)-; 9-((2-(Hydroxymethyl)Cyclohexyl)Methyl)Guanine
• Molecular Formula: C₁₃H₁₉N₅O₂
• Molecular Weight: 277.33
• CAS Registry Number: 129982-32-7
• SMILES: [C@H]3(C(C[N]1C2=C(N=C1)C(=O)N=C(N2)N)CCCC3)CO
• InChI: 1S/C13H19N5O2/c14-13-16-11-10(12(20)17-13)15-7-18(11)5-8-3-1-2-4-9(8)6-19/h7-9,19H,1-6H2,(H3,14,16,17,20)/t8?,9-/m1/s1
• InChIKey: NNUZPTLISFKQLP-YGPZHTELSA-N

Properties

• Density: 1.606g/cm³ (Cal.)
• Boiling point: 581.534°C at 760 mmHg (Cal.)
• Flash point: 305.501°C (Cal.)