N,N,3-trimethylazetidin-3-amine

• ChemBase ID: 64037
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: CC1(CNC1)N(C)C
• Canonical SMILES: CN(C1(C)CNC1)C
• InChI: InChI=1S/C6H14N2/c1-6(8(2)3)4-7-5-6/h7H,4-5H2,1-3H3
• InChIKey: ZUGCXQDQYRDQTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,3-trimethylazetidin-3-amine
• IUPAC Traditional name: N,N,3-trimethylazetidin-3-amine
• Synonyms: N,N,3-Trimethylazetidin-3-amine

Database IDs

• CAS Number: 149696-13-9
• MDL Number: MFCD17170039
• PubChem SID: 162029776
• PubChem CID: 14852460

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.19937
• LogD (pH = 7.4): -2.1301146
• Log P: -0.005415154
• Molar Refractivity: 35.0519 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%