(3S,4S,5S)-3,4-Diamino-5-(Hydroxymethyl)-2-Pyrrolidinone
[CAS# 256451-17-9]

Identification

• Name: (3S,4S,5S)-3,4-Diamino-5-(Hydroxymethyl)-2-Pyrrolidinone
• Synonyms: (3S,4S,5S)-3,4-diamino-5-(hydroxymethyl)pyrrolidin-2-one; InChI=1/C5H11N3O2/c6-3-2(1-9)8-5(10)4(3)7/h2-4,9H,1,6-7H2,(H,8,10)/t2-,3-,4+/m1/s1/f/h8H
• Molecular Formula: C₅H₁₁N₃O₂
• Molecular Weight: 145.16
• CAS Registry Number: 256451-17-9
• SMILES: C([C@@H]1[C@H]([C@@H](C(=O)N1)N)N)O
• InChI: 1S/C5H11N3O2/c6-3-2(1-9)8-5(10)4(3)7/h2-4,9H,1,6-7H2,(H,8,10)/t2-,3-,4+/m1/s1
• InChIKey: REGOMLSWOKUHLB-JJYYJPOSSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 430.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 214.3±28.7°C (Cal.)
• Refractive index: 1.526 (Cal.)

References

• (1): Philip W. H. Chan, Ian F. Cottrell and Mark G. Moloney. Pyrrolidinones derived from (S)-pyroglutamic acid. Part 4. a, ß-Diaminopyrrolidinones, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 3007.