2-cyclopropylpropan-2-amine hydrochloride

• ChemBase ID: 245262
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(CC1)C(N)(C)C.Cl
• Canonical SMILES: CC(C1CC1)(N)C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-6(2,7)5-3-4-5;/h5H,3-4,7H2,1-2H3;1H
• InChIKey: FXWZQNRBFXQZCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylpropan-2-amine hydrochloride
• IUPAC Traditional name: 2-cyclopropylpropan-2-amine hydrochloride
• Synonyms: 2-cyclopropylpropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD23144031
• PubChem SID: 164301172
• PubChem CID: 67745614

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1778777
• LogD (pH = 7.4): -1.9920034
• Log P: 0.8522701
• Molar Refractivity: 30.9178 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 1.017

Product Information

• Purity: 95%