(1R,2S)-2-(benzyloxy)cyclobutan-1-amine hydrochloride

• ChemBase ID: 245242
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: O([C@@H]1[C@@H](CC1)N)Cc1ccccc1.Cl
• Canonical SMILES: N[C@@H]1CC[C@@H]1OCc1ccccc1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H/t10-,11+;/m1./s1
• InChIKey: MQVMPQVTUIISOY-DHXVBOOMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-2-(benzyloxy)cyclobutan-1-amine hydrochloride
• IUPAC Traditional name: (1R,2S)-2-(benzyloxy)cyclobutan-1-amine hydrochloride
• Synonyms: (1R,2S)-2-(benzyloxy)cyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22741318
• PubChem SID: 164301152
• PubChem CID: 71757674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4149182
• LogD (pH = 7.4): -0.51254296
• Log P: 1.5773704
• Molar Refractivity: 52.4563 cm^3
• Polarizability: 21.036253 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.49

Product Information

• Purity: 95%