1-(aziridin-1-yl)but-3-en-2-ol | SBID = 420 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 0
PubChem TPSA/Å2: 23.2
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 0.0
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 97.7
Sum Formula: C6H11NO
M / g/mol: 113.16
Complexity: 88.0
Number of Conformers: 8.0

Identifiers

  • Tags: alcohol, typical guest
  • Name: 1-(aziridin-1-yl)but-3-en-2-ol
  • Preferred Abbreviation: Aethoxen
  • IUPAC Name: 1-(aziridin-1-yl)but-3-en-2-ol
  • CAS: 3691-16-5
  • CID: 19401
  • InChiKey: MJVIZWIQHKRBPI-UHFFFAOYSA-N
  • InChi: InChI=1S/C6H11NO/c1-2-6(8)5-7-3-4-7/h2,6,8H,1,3-5H2
  • CanoSmiles: C=CC(CN1CC1)O
  • IsoSmiles: C=CC(CN1CC1)O