10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-,(2Z)-2-butenedioate (1:2)


Chemical Name: 10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-,(2Z)-2-butenedioate (1:2)
CAS Number: 84-02-6
Product Number: AG00G2BI(AGN-PC-0UQ6ZK)
Synonyms:
MDL No:
Molecular Formula: C28H32ClN3O8S
Molecular Weight: 606.0870

Identification/Properties


Computed Properties
Molecular Weight:
606.087g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
8
Exact Mass:
605.16g/mol
Monoisotopic Mass:
605.16g/mol
Topological Polar Surface Area:
184A^2
Heavy Atom Count:
41
Formal Charge:
0
Complexity:
548
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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