2,4-디아미노-6-메틸페놀염산염

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

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

식별자 및 물리적 특성

CAS No.	65879-44-9
분자식	C7H11ClN2O
평균 분자량	174.63 g/mol
단동위원소 질량	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
현지명	2,4-디아미노-6-메틸페놀염산염

화학 및 물리적 성질

극성 표면적	72.3
수소 결합 공여자 수	4
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	118
물질 분류	Nitrogen Compounds -> Amino Phenols
EPA	4,6-Diamino-o-cresol hydrochloride (65879-44-9)

안전 및 규제

유해성 요약	Emergency treatment: Methemoglobinemia[HSDB] See 2,4-Diamino-6-methylphenol.
유해 작용	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 등재 상태	TSCA listed
유해 물질 데이터	65879-44-9(Hazardous Substances Data)

CAS No.

65879-44-9

분자식

C7H11ClN2O

평균 분자량

174.63 g/mol

단동위원소 질량

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

현지명

2,4-디아미노-6-메틸페놀염산염

극성 표면적

72.3

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

118

물질 분류

Nitrogen Compounds -> Amino Phenols

EPA

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

안전 및 규제

유해성 요약

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

유해 작용

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 등재 상태

TSCA listed

유해 물질 데이터

65879-44-9(Hazardous Substances Data)