Home Other Building Blocks 4-Chlorobenzylamine

4-Chlorobenzylamine

CAS No.:
104-86-9
Catalog Number:
AG0033ZY
Molecular Formula:
C7H8ClN
Molecular Weight:
141.5981
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$50
- +
100g
95%
In Stock USA
United States
$150
- +
500g
95%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG0033ZY
Chemical Name:
4-Chlorobenzylamine
CAS Number:
104-86-9
Molecular Formula:
C7H8ClN
Molecular Weight:
141.5981
MDL Number:
MFCD00008121
IUPAC Name:
(4-chlorophenyl)methanamine
InChI:
InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChI Key:
YMVFJGSXZNNUDW-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)Cl
EC Number:
203-245-3
NSC Number:
60119
Properties
Complexity:
77  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.035g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.598g/mol
Monoisotopic Mass:
141.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Design, synthesis and biological evaluation of Trypanosoma brucei trypanothione synthetase inhibitors. ChemMedChem 20120102
The one-dimensional coordination polymer poly[tetra-kis-[(4-chloro-phen-yl)methanaminium] [cadmate-μ-cyclo-hexa-phospho-rato]]. Acta crystallographica. Section E, Structure reports online 20111101
Syntheses and reactivities of non-symmetrical 'active ester' bi-dentate cross-linking reagents having a phthalimidoyl and acid chloride, 2-benzothiazole, or 1-benzotriazole group. Organic & biomolecular chemistry 20110221
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase. Bioorganic & medicinal chemistry letters 20100901
2-[(4-Chlorobenzyl)iminomethyl]phenol. Acta crystallographica. Section E, Structure reports online 20100901
(4-Chloro-phen-yl)methanaminium chloride hemihydrate. Acta crystallographica. Section E, Structure reports online 20100701
Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt). Journal of medicinal chemistry 20100311
Synthesis and antimicrobial evaluation of some new substituted purine derivatives. Bioorganic & medicinal chemistry 20090215
A comparative study of the structures and reactivity of cyclometallated platinum compounds of N-benzylidenebenzylamines and cycloplatination of a primary amine. Dalton transactions (Cambridge, England : 2003) 20070528
Investigation into new anticonvulsant derivatives of alpha-substituted N-benzylamides of gamma-hydroxy- and gamma-acetoxybutyric acid. Part 5: search for new anticonvulsant compounds. Bioorganic & medicinal chemistry 20040201
Inactivation of mitochondrial monoamine oxidase B by methylthio-substituted benzylamines. Bioorganic & medicinal chemistry 20031001
Properties