2-amino-N-cyclopentylpropanamide hydrochloride

• ChemBase ID: 49567
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(NC1CCCC1)C(N)C.Cl
• Canonical SMILES: CC(C(=O)NC1CCCC1)N.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-6(9)8(11)10-7-4-2-3-5-7;/h6-7H,2-5,9H2,1H3,(H,10,11);1H
• InChIKey: PUIOLMHGLHOXRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopentylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclopentylpropanamide hydrochloride
• Synonyms: 2-Amino-N-cyclopentylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD12913127
• PubChem SID: 162054330
• PubChem CID: 45792029

CALCULATED PROPERTIES

• Acid pKa: 15.860567
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4614182
• LogD (pH = 7.4): -0.83400834
• Log P: 0.192724
• Molar Refractivity: 43.6294 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 0.176

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%