(9S)-9-Amino-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
[CAS# 643045-35-6]

Identification

• Name: (9S)-9-Amino-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
• Synonyms: (S)-9-amino-6,7,8,9-tetrahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3(5H)-one
• Molecular Formula: C₇H₁₂N₄O
• Molecular Weight: 168.20
• CAS Registry Number: 643045-35-6
• SMILES: C1CCn2c(n[nH]c2=O)[C@H](C1)N
• InChI: 1S/C7H12N4O/c8-5-3-1-2-4-11-6(5)9-10-7(11)12/h5H,1-4,8H2,(H,10,12)/t5-/m0/s1
• InChIKey: LPBAXEROBBEYHX-YFKPBYRVSA-N

Properties

• Density: 1.642g/cm³ (Cal.)
• Refractive index: 1.769 (Cal.)