2-cyclopropylaniline hydrochloride

• ChemBase ID: 23903
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: C1(CC1)c1c(N)cccc1.Cl
• Canonical SMILES: Nc1ccccc1C1CC1.Cl
• InChI: InChI=1S/C9H11N.ClH/c10-9-4-2-1-3-8(9)7-5-6-7;/h1-4,7H,5-6,10H2;1H
• InChIKey: OGHSMAPZPGAEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylaniline hydrochloride
• IUPAC Traditional name: 2-cyclopropylaniline hydrochloride
• Synonyms: 2-Cyclopropyl-phenylamine hydrochloride

Database IDs

• MDL Number: MFCD04109471
• PubChem SID: 160987210
• PubChem CID: 23004829

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9041256
• LogD (pH = 7.4): 1.925326
• Log P: 1.9256032
• Molar Refractivity: 43.147 cm^3
• Polarizability: 16.212322 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false