(1S,2S)-2-methoxycyclopentan-1-amine hydrochloride

• ChemBase ID: 265452
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: [C@H]1([C@@H](OC)CCC1)N.Cl
• Canonical SMILES: CO[C@H]1CCC[C@@H]1N.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-8-6-4-2-3-5(6)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m0./s1
• InChIKey: LNNGAOQNALZWJQ-GEMLJDPKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S)-2-methoxycyclopentan-1-amine hydrochloride
• IUPAC Traditional name: (1S,2S)-2-methoxycyclopentan-1-amine hydrochloride
• Synonyms: trans-2-methoxycyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD14705754
• PubChem SID: 164321362
• PubChem CID: 47002405

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7114599
• LogD (pH = 7.4): -1.9928234
• Log P: 0.2974659
• Molar Refractivity: 32.4447 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 0.311

Product Information

• Purity: 95%