2,2-difluoro-1-methylcyclopropan-1-amine hydrochloride

• ChemBase ID: 51444
• Molecular Formular: C4H8ClF2N
• Molecular Mass: 143.5628264
• Monoisotopic Mass: 143.03133338
• SMILES: NC1(C(C1)(F)F)C.Cl
• Canonical SMILES: CC1(N)CC1(F)F.Cl
• InChI: InChI=1S/C4H7F2N.ClH/c1-3(7)2-4(3,5)6;/h2,7H2,1H3;1H
• InChIKey: OZAHEWCEHNHWGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-1-methylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2,2-difluoro-1-methylcyclopropan-1-amine hydrochloride
• Synonyms: (±)-2,2-Difluoro-1-methylcyclopropylamine hydrochloride

Database IDs

• CAS Number: 128230-76-2
• MDL Number: MFCD07777162
• PubChem SID: 162056207
• PubChem CID: 14695238

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4171526
• LogD (pH = 7.4): 0.18155687
• Log P: 0.5143058
• Molar Refractivity: 21.378 cm^3
• Polarizability: 8.49612 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144-145°C

Safety Information

• Storage Warning: IRRITANT, MOISTURE SENSITIVE
• TSCA Listed: false

Product Information

• Purity: 95%