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Adrenochrome

Adrenochrome structure

CAS No:
54-06-8
Formula:
C9H9NO3
Chemical Name:
Adrenochrome
Synonyms:
1H-Indole-5,6-dione,2,3-dihydro-3-hydroxy-1-methyl-;5,6-Indolinedione,3-hydroxy-1-methyl-;2,3-Dihydro-3-hydroxy-1-methyl-1H-indole-5,6-dione;Adrenochrome;2,3-Dihydro-3-hydroxy-N-methylindole-5,6-quinone;Adraxone;1-Methyl-3-hydroxy-5,6-dioxo-2,3,5,6-tetrahydroindole;3-Hydroxy-1-methyl-5,6-indolinedione;3-Hydroxy-1-methyl-2,3-dihydroindole-5,6-dione;3-Hydroxy-1-methyl-2,3,5,6-tetrahydro-1H-indole-5,6-dione;3-Hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione;116698-47-6
Categories:
Dyes and Pigments > Pigment

Description

Adrenochrome is dark purple crystals or powder and is a stable oxidation product formed after the oxidation of adrenaline. Its molecular weight is 179.180, melting point is 125 degrees Celsius, density is 3.785 g/cm3, and boiling point is 115–120 °C.

Adrenochrome Basic Attributes

Molecular Weight：

179.17

Exact Mass：

179.17

EC Number：

200-192-8

NSC Number：

383491|407840

HScode：

2933990090

Characteristics

PSA：

57.6

XLogP3：

-1.3

Density：

1.42g/cm3

Melting Point：

125 °C (decomp)

Boiling Point：

375.1ºC at 760 mmHg

Flash Point：

180.7ºC

Refractive Index：

1.63

Storage Conditions：

−20°C

Toxicity：

Peritoneal-rat LD50: 150 mg/kg; peritoneal-mouse LD50: 100 mg/kg

Flammability characteristics：

Flammable; burning releases toxic nitrogen oxide fumes

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

NM1925000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

Adrenochrome

Adrenochrome Use and Manufacturing

From the 1950s to the 1970s, it was the subject of limited research as a potential cause of schizophrenia. Although it has no current medical use, its semicarbazide derivative carbacrom is a hemostatic drug.

Computed Properties

Molecular Weight:179.17
XLogP3:-1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:179.058243149
Monoisotopic Mass:179.058243149
Topological Polar Surface Area:57.6
Heavy Atom Count:13
Complexity:354
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 54-06-8

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