2038-57-5 | 3-Phenylpropylamine

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$18.00	$13.00
25g	>97.0%(GC)(T)	in stock	$80.00	$56.00

Description

• Catalog Number: AB04939
• Chemical Name: 3-Phenylpropylamine
• CAS Number: 2038-57-5
• Molecular Formula: C9H13N
• Molecular Weight: 135.2062
• MDL Number: MFCD00008224
• SMILES: NCCCc1ccccc1
• NSC Number: 87080

Computed Properties

• Complexity: 74.8
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 1.8

Literature

• Benzaldehyde is a precursor of phenylpropylamino alkaloids as revealed by targeted metabolic profiling and comparative biochemical analyses in Ephedra spp.

  Phytochemistry 20120901

• Naturally occurring norephedrine oxazolidine derivatives in khat (Catha edulis).

  Planta medica 20120501

• Clinical characteristics of mephedrone toxicity reported to the U.K. National Poisons Information Service.

  Emergency medicine journal : EMJ 20110801

• Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) studies on α(1A)-adrenergic receptor antagonists based on pharmacophore molecular alignment.

  International journal of molecular sciences 20110101

• Expressed sequence tag analysis of khat (Catha edulis) provides a putative molecular biochemical basis for the biosynthesis of phenylpropylamino alkaloids.

  Genetics and molecular biology 20110101

• Experimental and computational studies of enantioseparation of structurally similar chiral compounds on amylose tris(3,5-dimethylphenylcarbamate).

  Chirality 20100601

• Composition and stereochemistry of ephedrine alkaloids accumulation in Ephedra sinica Stapf.

  Phytochemistry 20100601

• Rapid, sensitive and simultaneous determination of fluorescence-labeled designated substances controlled by the Pharmaceutical Affairs Law in Japan by ultra-performance liquid chromatography coupled with electrospray-ionization time-of-flight mass spectrometry.

  Analytical and bioanalytical chemistry 20091101

• The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules.

  Acta crystallographica. Section C, Crystal structure communications 20081201

• Selective extraction and elution of weak bases by in-line solid-phase extraction capillary electrophoresis using a pH step gradient and a weak cation-exchange monolith.

  The Analyst 20081001

• Developmental patterns of phenylpropylamino alkaloids accumulation in khat (Catha edulis, Forsk.).

  Journal of ethnopharmacology 20071203

• New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking.

  Journal of medicinal chemistry 20061019

• Synthesis of benzenepropanamine analogues as non-detergent spermicides with antitrichomonas and anticandida activities.

  Bioorganic & medicinal chemistry 20061001

• Aromatic chlorination of omega-phenylalkylamines and omega-phenylalkylamides in carbon tetrachloride and alpha,alpha,alpha-trifluorotoluene.

  Organic & biomolecular chemistry 20060721

• catena-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-mu-iodo-plumbate(II)-tri-mu-iodo-iodoplumbate(II)-di-mu-iodo]].

  Acta crystallographica. Section C, Crystal structure communications 20060501

• N-benzylethylammonium nitrate: a three-dimensional hydrogen-bonded framework comprising substructures in zero, one and two dimensions.

  Acta crystallographica. Section C, Crystal structure communications 20051101

• Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water.

  Journal of medicinal chemistry 20020606

• N-arylalkylpiperidines as high-affinity sigma-1 and sigma-2 receptor ligands: phenylpropylamines as potential leads for selective sigma-2 agents.

  Bioorganic & medicinal chemistry letters 20020211