2,4-Diamino-6-methylphenolhydrochlorid

2,4-diamino-6-methylphenol hydrochloride · 2,4-Diamino-6-methylphenol/hydrochloric acid,(1:x)

https://huagongshe.com/de/chemical/47741

Molekülstruktur von 2,4-Diamino-6-methylphenolhydrochlorid

Identifikatoren & physikalische Daten

CAS No.	65879-44-9
Summenformel	C7H11ClN2O
Durchschnittliche Molmasse	174,63 g/mol
Monoisotopische Masse	174,0559907 g/mol
SMILES	Cc1cc(N)cc(N)c1O.Cl
InChIKey	KFKLSCXTXRXTCC-UHFFFAOYSA-N
PubChem CID	47741
EC No.	265-960-7
DTXSID	DTXSID5070365
Lokaler Name	2,4-Diamino-6-methylphenolhydrochlorid

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	72,3
H-Brücken-Donoren	4
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	118
Stoffklassen	Nitrogen Compounds -> Amino Phenols
EPA chemische Informationen	4,6-Diamino-o-cresol hydrochloride (65879-44-9)

Sicherheit & Vorschriften

Gefahrenübersicht	Emergency treatment: Methemoglobinemia[HSDB] See 2,4-Diamino-6-methylphenol.
Unerwünschte Wirkungen	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
Non-Human Toxicity Excerpts	THE IP ADMIN OF 4,6-DIAMINO-O-CRESOL (33 MG/KG) OR 4,6-DIAMINO-2-SEC-BUTYLPHENOL (43 MG/KG) PRODUCED A LETHAL METHEMOGLOBINEMIA WITHIN 15-20 MINUTES. THE INTRARUMINAL ADMIN INDUCED A LESS DRAMATIC METHEMOGLOBINEMIA. HEMOLYSIS & ACUTE NEPHROSIS WERE OBSERVED IN A PROLONGED EXPERIMENT. APPARENTLY, THE DIAMINOPHENOL METABOLITES ARE RESPONSIBLE FOR THE METHEMOGLOBIN FORMATION IN DINITROPHENOL (DNOC OR DNBP) POISONINGS.2-METHYL-4,6-DINITROPHENOL SHOWED HIGHER TOXICITY TO SHEEP THAN 2-(1-METHYLPROPYL)-4,6-DINITROPHENOL FOLLOWING ORAL ADMIN (70 MG/KG)HOWEVER, DYSPNEA & HYPERTHERMIA WERE CAUSED BY THEIR RESPECTIVE DIAMINO METABOLITES, 2-METHYL-4,6-DIAMINOPHENOL & 2-(1-METHYLPROPYL)-4,6-DIAMINOPHENOL. THE METABOLITES ALSO CAUSED METHEMOGLOBINEMIA, HYPOTHERMIA, & HEMOCONCENTRATION.
TSCA-Inventar-Status	TSCA listed
Gefahrstoffdaten	65879-44-9(Hazardous Substances Data)

CAS No.

65879-44-9

Summenformel

C7H11ClN2O

Durchschnittliche Molmasse

174,63 g/mol

Monoisotopische Masse

174,0559907 g/mol

SMILES

Cc1cc(N)cc(N)c1O.Cl

InChIKey

KFKLSCXTXRXTCC-UHFFFAOYSA-N

PubChem CID

47741

EC No.

265-960-7

DTXSID

DTXSID5070365

Lokaler Name

2,4-Diamino-6-methylphenolhydrochlorid

Polarare Oberfläche (TPSA)

72,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

118

Stoffklassen

Nitrogen Compounds -> Amino Phenols

EPA chemische Informationen

4,6-Diamino-o-cresol hydrochloride (65879-44-9)

Sicherheit & Vorschriften

Gefahrenübersicht

Emergency treatment: Methemoglobinemia[HSDB] See 2,4-Diamino-6-methylphenol.

Unerwünschte Wirkungen

Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect

Non-Human Toxicity Excerpts

THE IP ADMIN OF 4,6-DIAMINO-O-CRESOL (33 MG/KG) OR 4,6-DIAMINO-2-SEC-BUTYLPHENOL (43 MG/KG) PRODUCED A LETHAL METHEMOGLOBINEMIA WITHIN 15-20 MINUTES. THE INTRARUMINAL ADMIN INDUCED A LESS DRAMATIC METHEMOGLOBINEMIA. HEMOLYSIS & ACUTE NEPHROSIS WERE OBSERVED IN A PROLONGED EXPERIMENT. APPARENTLY, THE DIAMINOPHENOL METABOLITES ARE RESPONSIBLE FOR THE METHEMOGLOBIN FORMATION IN DINITROPHENOL (DNOC OR DNBP) POISONINGS.2-METHYL-4,6-DINITROPHENOL SHOWED HIGHER TOXICITY TO SHEEP THAN 2-(1-METHYLPROPYL)-4,6-DINITROPHENOL FOLLOWING ORAL ADMIN (70 MG/KG)HOWEVER, DYSPNEA & HYPERTHERMIA WERE CAUSED BY THEIR RESPECTIVE DIAMINO METABOLITES, 2-METHYL-4,6-DIAMINOPHENOL & 2-(1-METHYLPROPYL)-4,6-DIAMINOPHENOL. THE METABOLITES ALSO CAUSED METHEMOGLOBINEMIA, HYPOTHERMIA, & HEMOCONCENTRATION.

TSCA-Inventar-Status

TSCA listed

Gefahrstoffdaten

65879-44-9(Hazardous Substances Data)