4-(cyclopropylmethoxy)aniline hydrochloride

• ChemBase ID: 274277
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: C1(CC1)COc1ccc(N)cc1.Cl
• Canonical SMILES: Nc1ccc(cc1)OCC1CC1.Cl
• InChI: InChI=1S/C10H13NO.ClH/c11-9-3-5-10(6-4-9)12-7-8-1-2-8;/h3-6,8H,1-2,7,11H2;1H
• InChIKey: JIMPZGMCJJZHCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopropylmethoxy)aniline hydrochloride
• IUPAC Traditional name: 4-(cyclopropylmethoxy)aniline hydrochloride
• Synonyms: 4-(cyclopropylmethoxy)aniline hydrochloride

Database IDs

• MDL Number: MFCD15200817
• PubChem SID: 164330187
• PubChem CID: 54593108

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6210439
• LogD (pH = 7.4): 1.7650385
• Log P: 1.7672259
• Molar Refractivity: 49.1636 cm^3
• Polarizability: 18.783915 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177 - 179°C
• Hydrophobicity(logP): 1.977

Product Information

• Purity: 95%