2,2,3,3-tetramethylcyclopropan-1-amine hydrochloride

• ChemBase ID: 286372
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1(C(C1N)(C)C)(C)C.Cl
• Canonical SMILES: NC1C(C1(C)C)(C)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(2)5(8)7(6,3)4;/h5H,8H2,1-4H3;1H
• InChIKey: MLHWZWPUKPVGAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3-tetramethylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2,2,3,3-tetramethylcyclopropan-1-amine hydrochloride
• Synonyms: 2,2,3,3-tetramethylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD21602794
• PubChem SID: 180671903
• PubChem CID: 70683972

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6601073
• LogD (pH = 7.4): -0.7072707
• Log P: 1.326053
• Molar Refractivity: 34.8694 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201 - 203°C
• Hydrophobicity(logP): 2.516

Product Information

• Purity: 95%