CAS 3731-53-1 | 4-Pyridinemethaneamine | CAS Number 3731-53-1

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3731-53-1 | 4-Pyridinemethaneamine

CAS No: 3731-53-1 Catalog No: AG003457 MDL No:MFCD00006449

Product Description

Catalog Number:

AG003457

Chemical Name:

4-Pyridinemethaneamine

CAS Number:

3731-53-1

Molecular Formula:

C6H8N2

Molecular Weight:

108.1411

MDL Number:

MFCD00006449

IUPAC Name:

pyridin-4-ylmethanamine

InChI:

InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2

InChI Key:

TXQWFIVRZNOPCK-UHFFFAOYSA-N

SMILES:

NCc1ccncc1

EC Number:

223-092-6

NSC Number:

59707

Properties

Complexity:

57.5

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

108.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

108.144g/mol

Monoisotopic Mass:

108.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
Phenol group in pyridoxamine acts as a stabilizing element for its carbinolamines and Schiff bases.	Chemistry & biodiversity 20110701
2-Phenyl-7-(4-pyridyl-methyl-amino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one.	Acta crystallographica. Section E, Structure reports online 20110101
Application of molecular topology for the prediction of reaction yields and anti-inflammatory activity of heterocyclic amidine derivatives.	International journal of molecular sciences 20110101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
The development of responsive, luminescent lifetime probes based upon axially functionalised fac-[Re(CO)3(di-imine)(L)]+ complexes.	Dalton transactions (Cambridge, England : 2003) 20100707
Structure elucidation of highly polar basic degradants by on-line hydrogen/deuterium exchange hydrophilic interaction chromatography coupled to tandem mass spectrometry.	Journal of chromatography. A 20100528
Conventional and microwave assisted synthesis of small molecule based biologically active heterocyclic amidine derivatives.	European journal of medicinal chemistry 20100301
Self-assembly of hydrogensquarates: crystal structures and properties.	The journal of physical chemistry. A 20090402
Unexpected isomeric equilibrium in pyridoxamine Schiff bases.	Bioorganic chemistry 20090201
Bis[4-(dimethyl-amino)pyridinium] 3.75-bromido-0.25-chloridodiphenyl-plumbate(IV).	Acta crystallographica. Section E, Structure reports online 20090101
4-(Ammonio-meth-yl)pyridinium dichloride.	Acta crystallographica. Section E, Structure reports online 20081101
4,4'-[8b,8c-Bis(ethoxycarbonyl)-4,8-dioxo-2,3,5,6-tetra-hydro-1H,4H-2,3a,4a,6,7a,8a-hexa-azacyclo-penta-[def]fluorene-2,6-diyl]dipyridinium bis-(tetra-fluorido-borate).	Acta crystallographica. Section E, Structure reports online 20080901
Retraction notice to 'Determination of Co(II) in water and soil samples using spectrophotometry coupled with preconcentration on 4-amino methyl pyridine anchored silica gel column' [J. Hazard. Mater. 146 (1-2) (2007) 137-141].	Journal of hazardous materials 20080715
4,4'-(2,6-Dihydroxy-naphthalene-1,5-diyldimethyl-ene)dipyridinium bis-(per-chlorate).	Acta crystallographica. Section E, Structure reports online 20080601
The pyridoxamine action on Amadori compounds: A reexamination of its scavenging capacity and chelating effect.	Bioorganic & medicinal chemistry 20080515
Stability-indicating hydrophilic interaction liquid chromatography method for highly polar and basic compounds.	Journal of chromatography. A 20080425
Determination of Co(II) in water and soil samples using spectrophotometry coupled with preconcentration on 4-amino methyl pyridine anchored silica gel column.	Journal of hazardous materials 20070719
Catalytic activity tuning of a biomimetic HO-FeV=O oxidant for methane hydroxylation by substituents on aromatic rings: theoretical study.	The journal of physical chemistry. B 20070315
Variations in product in reactions of naphthoquinone with primary amines.	Beilstein journal of organic chemistry 20070101
Variability in the structures of [4-(aminomethyl)pyridine]silver(I) complexes through effects of ligand ratio, anion, hydrogen bonding, and pi-stacking.	Inorganic chemistry 20060123
Carbon acidity of the alpha-pyridinium carbon of a pyridoxamine analog.	Organic & biomolecular chemistry 20050607
Alkylamino derivatives of 4-aminomethylpyridine as inhibitors of copper-containing amine oxidases.	Journal of medicinal chemistry 20050210
Mimicking enzymatic transaminations: attempts to understand and develop a catalytic asymmetric approach to chiral alpha-amino acids.	Organic & biomolecular chemistry 20040721
Catalytic enantioselective transamination of alpha-keto esters: an organic approach to enzymatic reactions.	Chemical communications (Cambridge, England) 20031021