azetidin-3-amine dihydrochloride

• ChemBase ID: 54945
• Molecular Formular: C3H10Cl2N2
• Molecular Mass: 145.0309
• Monoisotopic Mass: 144.02210369
• SMILES: N1CC(C1)N.Cl.Cl
• Canonical SMILES: NC1CNC1.Cl.Cl
• InChI: InChI=1S/C3H8N2.2ClH/c4-3-1-5-2-3;;/h3,5H,1-2,4H2;2*1H
• InChIKey: OOSDLMAZIRAMDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azetidin-3-amine dihydrochloride
• IUPAC Traditional name: azetidin-3-amine dihydrochloride
• Synonyms: Azetidin-3-amine dihydrochloride

Database IDs

• CAS Number: 102065-89-4; 102065-86-1
• MDL Number: MFCD09910173
• PubChem SID: 162059708
• PubChem CID: 13491919

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.6101832
• LogD (pH = 7.4): -3.3260713
• Log P: -1.1016202
• Molar Refractivity: 20.3444 cm^3
• Polarizability: 8.58217 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%