sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos 4-Dimethylamino-1-naphthyl isothiocyanate

4-Dimethylamino-1-naphthyl isothiocyanate

CAS No.:
29711-79-3
Catalog Number:
AG002Z6W
Molecular Formula:
C13H12N2S
Molecular Weight:
228.3128
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$75
- +
1g
97%
In Stock USA
United States
$225
- +
5g
97%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG002Z6W
Chemical Name:
4-Dimethylamino-1-naphthyl isothiocyanate
CAS Number:
29711-79-3
Molecular Formula:
C13H12N2S
Molecular Weight:
228.3128
MDL Number:
MFCD00003883
IUPAC Name:
4-isothiocyanato-N,N-dimethylnaphthalen-1-amine
InChI:
InChI=1S/C13H12N2S/c1-15(2)13-8-7-12(14-9-16)10-5-3-4-6-11(10)13/h3-8H,1-2H3
InChI Key:
SMZHGTXTWIAKGS-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c2c1cccc2)N(C)C
EC Number:
249-800-3
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.313g/mol
Monoisotopic Mass:
228.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
LC/MS/MS Analysis of N-Terminal Protein Adducts with Improved Sensitivity: A Comparison of Selected Edman Isothiocyanate Reagents. International journal of analytical chemistry 20090101
Properties