1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-,(3Z)-


Chemical Name: 1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-,(3Z)-
CAS Number: 113-59-7
Product Number: AG00785B(AGN-PC-0P52IW)
Synonyms:
MDL No:
Molecular Formula: C18H18ClNS
Molecular Weight: 315.8602

Identification/Properties


Computed Properties
Molecular Weight:
315.859g/mol
XLogP3:
5.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
315.085g/mol
Monoisotopic Mass:
315.085g/mol
Topological Polar Surface Area:
28.5A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
381
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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