ethyl 1-aminocyclopentane-1-carboxylate hydrochloride

• ChemBase ID: 55689
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C1CCC(C1)(N)C(=O)OCC.Cl
• Canonical SMILES: CCOC(=O)C1(N)CCCC1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-2-11-7(10)8(9)5-3-4-6-8;/h2-6,9H2,1H3;1H
• InChIKey: ADFASIQRQWKXSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-aminocyclopentane-1-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 1-aminocyclopentane-1-carboxylate hydrochloride
• Synonyms: Ethyl 1-aminocyclopentanecarboxylate hydrochloride; ethyl 1-aminocyclopentane-1-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD01735325
• PubChem SID: 162060452
• PubChem CID: 3028134

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.217551
• LogD (pH = 7.4): 0.45285395
• Log P: 0.9380755
• Molar Refractivity: 41.9741 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 224 - 226°C
• Hydrophobicity(logP): 1.153

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%