3-(benzyloxy)azetidine hydrochloride

• ChemBase ID: 37808
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: C1NCC1OCc1ccccc1.Cl
• Canonical SMILES: N1CC(C1)OCc1ccccc1.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-2-4-9(5-3-1)8-12-10-6-11-7-10;/h1-5,10-11H,6-8H2;1H
• InChIKey: BQTSSUSLZRYTQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)azetidine hydrochloride
• IUPAC Traditional name: 3-(benzyloxy)azetidine hydrochloride
• Synonyms: 3-(Benzyloxy)azetidine hydrochloride

Database IDs

• CAS Number: 897019-59-9
• MDL Number: MFCD09907646
• PubChem SID: 161001115
• PubChem CID: 46737011

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5817765
• LogD (pH = 7.4): -0.008801762
• Log P: 1.3728613
• Molar Refractivity: 48.0507 cm^3
• Polarizability: 19.190552 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.752

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%