Bis[(E)-Amino-N-(Carboxymethyl)Imino-N-Methylmethanaminium] Sulfate
[CAS# 102601-28-5]

Identification

• Name: Bis[(E)-Amino-N-(Carboxymethyl)Imino-N-Methylmethanaminium] Sulfate
• Synonyms: CREATINEHEMISULFATESALT
• Molecular Formula: C₈H₂₀N₆O₈S
• Molecular Weight: 360.34
• CAS Registry Number: 102601-28-5
• SMILES: O=C(O)C[NH+](C(=[N@H])N)C.[O-]S([O-])(=O)=O.O=C(O)C[NH+](C(=[N@H])N)C
• InChI: 1S/2C4H9N3O2.H2O4S/c2*1-7(4(5)6)2-3(8)9;1-5(2,3)4/h2*2H2,1H3,(H3,5,6)(H,8,9);(H2,1,2,3,4)
• InChIKey: NFWOMGOXOHCLNA-UHFFFAOYSA-N

Properties

• Boiling point: 271.6°C at 760 mmHg (Cal.)
• Flash point: 118.1°C (Cal.)
• Refractive index: (Cal.)