(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoic Acid, 1,3-Dimethyl-7 H-Purine-2,6-Dione
[CAS# 84331-66-8]

Identification

• Name: (2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoic Acid, 1,3-Dimethyl-7 H-Purine-2,6-Dione
• Synonyms: (2S)-2-Amino-5-Guanidino-Pentanoic Acid; 1,3-Dimethyl-7H-Purine-2,6-Dione; (2S)-2-Amino-5-Guanidinopentanoic Acid; 1,3-Dimethyl-7H-Purine-2,6-Dione; (2S)-2-Amino-5-Guanidino-Valeric Acid; 1,3-Dimethyl-7H-Purine-2,6-Quinone
• Molecular Formula: C₁₃H₂₂N₈O₄
• Molecular Weight: 354.37
• CAS Registry Number: 84331-66-8
• SMILES: [C@H](N)(CCCN=C(N)N)C(O)=O.C1=NC2=C([NH]1)C(=O)N(C(=O)N2C)C
• InChI: 1S/C7H8N4O2.C6H14N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;7-4(5(11)12)2-1-3-10-6(8)9/h3H,1-2H3,(H,8,9);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1
• InChIKey: GZKSGVLHWLGYRF-VWMHFEHESA-N

Properties

• Boiling point: 454.1°C at 760 mmHg (Cal.)
• Flash point: 228.4°C (Cal.)