(azetidin-3-ylmethyl)dimethylamine hydrochloride

• ChemBase ID: 64036
• Molecular Formular: C6H15ClN2
• Molecular Mass: 150.6497
• Monoisotopic Mass: 150.09237617
• SMILES: Cl.N1CC(CN(C)C)C1
• Canonical SMILES: CN(CC1CNC1)C.Cl
• InChI: InChI=1S/C6H14N2.ClH/c1-8(2)5-6-3-7-4-6;/h6-7H,3-5H2,1-2H3;1H
• InChIKey: XPXMVFXWYLCCNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (azetidin-3-ylmethyl)dimethylamine hydrochloride
• IUPAC Traditional name: (azetidin-3-ylmethyl)dimethylamine hydrochloride
• Synonyms: Azetidin-3-yl-N,N-dimethylmethanamine hydrochloride

Database IDs

• CAS Number: 741287-55-8
• MDL Number: MFCD19443908
• PubChem SID: 162029775
• PubChem CID: 23090316

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.685586
• LogD (pH = 7.4): -3.6694627
• Log P: -0.29197305
• Molar Refractivity: 35.3009 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%