(1R,4S)-rel-4-(2-Amino-6-Chloro-9H-Purin-9-Yl)-2-Cyclopentene-1-Methanol
[CAS# 118237-87-9]

Identification

• Name: (1R,4S)-rel-4-(2-Amino-6-Chloro-9H-Purin-9-Yl)-2-Cyclopentene-1-Methanol
• Synonyms: [(1S,4R)-4-(2-Amino-6-Chloro-Purin-9-Yl)-1-Cyclopent-2-Enyl]Methanol; [(1S,4R)-4-(2-Amino-6-Chloro-9-Purinyl)-1-Cyclopent-2-Enyl]Methanol; Nsc 613825
• Molecular Formula: C₁₁H₁₂ClN₅O
• Molecular Weight: 265.70
• CAS Registry Number: 118237-87-9
• SMILES: [C@@H]3([N]1C2=C(N=C1)C(=NC(=N2)N)Cl)C[C@@H](C=C3)CO
• InChI: 1S/C11H12ClN5O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h1-2,5-7,18H,3-4H2,(H2,13,15,16)/t6-,7+/m1/s1
• InChIKey: IHEDZPMXLKYPSA-RQJHMYQMSA-N

Properties

• Density: 1.742g/cm³ (Cal.)
• Boiling point: 571.982°C at 760 mmHg (Cal.)
• Flash point: 299.724°C (Cal.)