paraffin

Description

paraffin · CAS 9083-41-4 · C21H27NO3. UNII 68IQX3T69U. Solubility: 7.58e-03 g/L; LogP: 3.2; LogP: 3.83.

Identification

CAS Registry Number	9083-41-4
PubChem CID	4932
Molecular formula	C21H27NO3
IUPAC name	1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
UNII (FDA)	68IQX3T69U

Computed Descriptors

Molecular Weight	341.4
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	341.19909372
Monoisotopic Mass	341.19909372
Topological Polar Surface Area	58.6
Heavy Atom Count	25
Formal Charge	0

Physical & Chemical Properties

Solubility	7.58e-03 g/L
LogP	3.2
LogP	3.83
Dissociation Constants	9.27
Dissociation Constants	8.8

Physical description & handling notes

• Solid
• Slightly soluble
• When heated to decomposition, material emits toxic fumes of NOx and HCl.
• 176.48 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 184.02 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 172.23 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H302 (100%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >5000
• Consumption (g per capita; approx.) in Germany (2009): 0.0611
• Consumption (g per capita) in the USA (2002): 0.0201
• It is synthesized by reaction of epichlorohydrin with 1-(2-hydroxyphenyl)-3-phenyl-1-propanone (made by Friedel-Crafts reaction of 3-phenylpropionyl chloride and phenol) and epoxide ring opening with propylamine.
• Used to prolong the time to recurrence of paroxysmal atrial fibrillation/flutter (PAF) associated with disabling symptoms in patients without structural heart disease. Also used for the treatment of life-threatening documented ventricular arrhythmias, such as sustained ventricular tachycardia.
• Propafenone is an oral antiarrhythmic agent that has been in wide use for several decades. Long term propafenone therapy is associated with a low rate of serum aminotransferase elevations and therapy rarely can cause a self-limited, acute cholestatic liver injury.

Synonyms

propafenone; 54063-53-5; Propafenona; Propafenonum; 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenylpropan-1-one; Propafenon Hexal; GNF-Pf-4594; DTXSID9045184; 1-(2-(2-Hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-1-propanone; 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one; 68IQX3T69U; 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one; DTXCID7025184; CHEBI:63619; 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-; 2-(2'-hydroxy-3'-propylaminopropoxy)-omega-phenylpropiophenone

Frequently Asked Questions

What are the CAS number and molecular formula of paraffin?

CAS 9083-41-4; molecular formula C21H27NO3; molecular weight — g/mol.

What other names is paraffin known by?

propafenone, 54063-53-5, Propafenona, Propafenonum, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenylpropan-1-one, Propafenon Hexal.

Is paraffin classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of paraffin?

Solubility: 7.58e-03 g/L; LogP: 3.2; LogP: 3.83; Dissociation Constants: 9.27.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.