cyclopentyl 4-aminobenzoate

• ChemBase ID: 235676
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: C(=O)(OC1CCCC1)c1ccc(N)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N)OC1CCCC1
• InChI: InChI=1S/C12H15NO2/c13-10-7-5-9(6-8-10)12(14)15-11-3-1-2-4-11/h5-8,11H,1-4,13H2
• InChIKey: XDOAGFCZGPCSHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl 4-aminobenzoate
• IUPAC Traditional name: cyclopentyl 4-aminobenzoate
• Synonyms: cyclopentyl 4-aminobenzoate hydrochloride; cyclopentyl 4-aminobenzoate

Database IDs

• CAS Number: 37005-75-7
• MDL Number: MFCD05855324; MFCD08070526
• PubChem SID: 164291586
• PubChem CID: 1506605

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.50162
• LogD (pH = 7.4): 2.5024877
• Log P: 2.5024986
• Molar Refractivity: 59.1969 cm^3
• Polarizability: 22.522762 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 2.866

Product Information

• Purity: 95%