2,2-difluorocyclopropan-1-amine hydrochloride

• ChemBase ID: 22280
• Molecular Formular: C3H6ClF2N
• Molecular Mass: 129.5362464
• Monoisotopic Mass: 129.01568332
• SMILES: NC1C(C1)(F)F.Cl
• Canonical SMILES: NC1CC1(F)F.Cl
• InChI: InChI=1S/C3H5F2N.ClH/c4-3(5)1-2(3)6;/h2H,1,6H2;1H
• InChIKey: WSSNWLHFBOKGGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluorocyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2,2-difluorocyclopropan-1-amine hydrochloride
• Synonyms: 2-Amino-1,1-difluorocyclopropane hydrochloride; 2,2-Difluorocyclopropylamine hydrochloride; 2,2-Difluorocyclopropylamine hydrochloride; 2,2-二氟环丙基胺盐酸盐

Database IDs

• CAS Number: 105614-25-3
• MDL Number: MFCD07777150
• PubChem SID: 160985587
• PubChem CID: 20161313

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4777142
• LogD (pH = 7.4): 0.012057456
• Log P: 0.2337291
• Molar Refractivity: 16.7398 cm^3
• Polarizability: 6.726302 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145(dec)°C; ca 145°C dec.

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic; IRRITANT-HARMFUL, MOISTURE SENSITIVE
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%