Solvent Black 3


Chemical Name: Solvent Black 3
CAS Number: 4197-25-5
Product Number: AG00ILKL(AGN-PC-0WAF23)
Synonyms:
MDL No:
Molecular Formula: C29H24N6
Molecular Weight: 456.5411

Identification/Properties


Computed Properties
Molecular Weight:
456.553g/mol
XLogP3:
8.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
456.206g/mol
Monoisotopic Mass:
456.206g/mol
Topological Polar Surface Area:
73.5A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
773
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H315-H319-H335-H341-H361
Precautionary Statements:
P261-P281-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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