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3-(2-tert-butyl-10-oxido-5-oxophenothiazin-10-ium-10-yl)-N,N-dimethylpropan-1-amine;dihydrate

3-(2-tert-butyl-10-oxido-5-oxophenothiazin-10-ium-10-yl)-N,N-dimethylpropan-1-amine;dihydrate structure

CAS No:
63834-07-1
Formula:
C21H32N2O4S
Chemical Name:
3-(2-tert-butyl-10-oxido-5-oxophenothiazin-10-ium-10-yl)-N,N-dimethylpropan-1-amine;dihydrate
Synonyms:
63834-07-1;2-tert-Butyl-10-(3-dimethylaminopropyl)phenothiazine-N,5-dioxide dihydrate;DTXSID10980425;Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate;2-tert-Butyl-10-[3-(dimethylamino)propyl]-10-oxo-5lambda~4~,10lambda~5~-phenothiazin-5(10H)-one--water (1/2)

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3-(2-tert-butyl-10-oxido-5-oxophenothiazin-10-ium-10-yl)-N,N-dimethylpropan-1-amine;dihydrate Basic Attributes

Molecular Weight：

408.6 g/mol

Exact Mass：

408.20827868 g/mol

Characteristics

PSA：

59.6 Å²

Computed Properties

Molecular Weight:408.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:408.20827868
Monoisotopic Mass:408.20827868
Topological Polar Surface Area:59.6
Heavy Atom Count:28
Complexity:519
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 3-(2-tert-butyl-10-oxido-5-oxophenothiazin-10-ium-10-yl)-N,N-dimethylpropan-1-amine;dihydrate

Basic Attributes
Characteristics
Computed Properties

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