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29711-79-3 | 1-Naphthalenamine, 4-isothiocyanato-N,N-dimethyl-
CAS No: 29711-79-3 Catalog No: AG002Z6W MDL No:MFCD00003883
Product Description
Catalog Number:
AG002Z6W
Chemical Name:
1-Naphthalenamine, 4-isothiocyanato-N,N-dimethyl-
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 |
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