(1r,3r)-3-aminocyclobutan-1-ol

• ChemBase ID: 310039
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: C1[C@@H](C[C@H]1O)N
• Canonical SMILES: N[C@@H]1C[C@H](C1)O
• InChI: InChI=1S/C4H9NO/c5-3-1-4(6)2-3/h3-4,6H,1-2,5H2/t3-,4-
• InChIKey: JLUZCHOYSPEHES-JPYJGEKTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1r,3r)-3-aminocyclobutan-1-ol
• IUPAC Traditional name: (1r,3r)-3-aminocyclobutan-1-ol
• Synonyms: trans-3-aminocyclobutanol

Database IDs

• CAS Number: 1036260-45-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.257658
• LogD (pH = 7.4): -3.554791
• Log P: -1.2476321
• Molar Refractivity: 23.3133 cm^3
• Polarizability: 9.517664 Å^3
• Polar Surface Area: 46.25 Å^2