13658-95-2

Basic information

• Product Name: N-Phenyl-N',N'-dimethyl-1,3-propanediamine
• Synonyms: N,N-Dimethyl-N'-phenyl-1,3-propanediamine;N-Phenyl-N',N'-dimethyl-1,3-propanediamine;N,N-Dimethyl-N-phenyl-propane-1,3-diamine
• CAS NO: 13658-95-2
• Molecular Formula: C₁₁H₁₈N₂
• Molecular Weight: 178.27
• Mol File: 13658-95-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 187-188 °C
• Boiling Point: 83-84 °C(Press: 0.4 Torr)
• Appearance: /
• Density: 0.978±0.06 g/cm3(Predicted)
• PKA: 9.40±0.28(Predicted)
• CAS DataBase Reference: N-Phenyl-N',N'-dimethyl-1,3-propanediamine(CAS DataBase Reference)
• NIST Chemistry Reference: N-Phenyl-N',N'-dimethyl-1,3-propanediamine(13658-95-2)
• EPA Substance Registry System: N-Phenyl-N',N'-dimethyl-1,3-propanediamine(13658-95-2)

Safety Data

• Hazardous Substances Data: 13658-95-2(Hazardous Substances Data)

Upstream product

• 62-53-3 aniline 
• 70058-23-0 3-(dimethylamino)propanal 
• 3460-04-6 3-chloro-N-phenylpropionamide 
• 5407-04-5 3-(dimethylamino)propyl chloride hydrochloride 
• 1534-15-2 3-(Dimethylamino)-2-propenal N-phenylimine 
• 35508-99-7 β-dimethylamino-N-phenylpropionic acid amide 

Downstream Products

• 37152-70-8 2-Bromo-N-(3-dimethylamino-propyl)-N-phenyl-propionamide 
• 63114-19-2 1-(3-Dimethylamino-propyl)-1,3-diphenyl-urea 
• 1426831-88-0 C₂₀H₂₂N₂O 
• 1426831-85-7 C₂₀H₂₂N₂O 
• 18185-04-1 2.2'-Dimethoxy-benzilsaeure-N-<γ-dimethylamino-propyl>-anilid 
• 18185-05-2 3.3'-Dimethoxy-benzilsaeure-N-<γ-dimethylamino-propyl>-anilid 
• 18185-06-3 2.2'-Difluor-benzilsaeure-N-<γ-dimethylamino-propyl>-anilid 
• 18185-09-6 2.2'-Dichlor-benzilsaeure-N-<γ-dimethylamino-propyl>-anilid 
• 18285-55-7 2.2'-Dimethyl-benzilsaeure-N-<γ-dimethylamino-propyl>-anilid 
• 18185-08-5 4.4'-Difluor-benzilsaeure-N-<γ-dimethylamino-propyl>-anilid 

Relevant articles and documents

Discovery of a novel series of quinolone α7 nicotinic acetylcholine receptor agonists

High throughput screening led to the identification of a novel series of quinolone α7 nicotinic acetylcholine receptor (nAChR) agonists. Optimization of an HTS hit (1) led to 4-phenyl-1-(quinuclidin-3-ylmethyl) quinolin-2(1H)-one, which was found to be potent and selective. Poor brain penetrance in this series was attributed to transporter-mediated efflux, which was in turn due to high pKa. A novel 4-fluoroquinuclidine significantly lowered the pKa of the quinuclidine moiety, reducing efflux as measured by a Caco-2 assay.

Potential antihistamines with increased receptor specificity.

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