Home Other Building Blocks 4-(DIMETHYLAMINO)PHENYL ISOTHIOCYANATE

4-(DIMETHYLAMINO)PHENYL ISOTHIOCYANATE

CAS No.:
2131-64-8
Catalog Number:
AG003K7U
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$126
- +
5g
97%
In Stock USA
United States
$146
- +
Product Description
Catalog Number:
AG003K7U
Chemical Name:
4-(DIMETHYLAMINO)PHENYL ISOTHIOCYANATE
CAS Number:
2131-64-8
MDL Number:
MFCD00041093
IUPAC Name:
4-isothiocyanato-N,N-dimethylaniline
InChI:
InChI=1S/C9H10N2S/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3
InChI Key:
HRDJPEMAGYHSJR-UHFFFAOYSA-N
EC Number:
218-360-4
NSC Number:
196179
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Isothiocyanates as derivatization reagents for amines in liquid chromatography/electrospray ionization-tandem mass spectrometry. Biomedical chromatography : BMC 20100901
Properties