4-Amino-3,5-dimethylphenol

HCID 76543

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3096-70-6
표준 SMILES: Cc1cc(O)cc(C)c1N
InChIKey: GCWYXRHXGLFVFE-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 4-Amino-3,5-dimethylphenol
IUPAC: 4-amino-3,5-dimethylphenol
영어명: 4-Amino-3,5-xylenol
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

4-Amino-3,5-dimethylphenol3096-70-64-Amino-3,5-xylenol3,5-Dimethyl-4-aminophenol4-Hydroxy-2,6-dimethylanilinePhenol, 4-amino-3,5-dimethyl-3,5-Xylenol, 4-amino-NSC 38030EINECS 221-448-5UNII-1S8G005MHPNSC-38030BRN 2082260

이름 더 보기

WLN: ZR DQ B1 F14-amino-5-xylenol4-Amino-3-Xylenol4-Amino-3,5-xyleol4-Hydroxy-2,6-xylidine

1S8G005MHPDTXSID8040272CHEBI:555454-13-00-01855 (Beilstein Handbook Reference)RefChem:97716DTXCID6020272Phenol, 4-amino-3,5-dimethyl-(9CI)1,3-Dimethyl-2-amino-5-xylenol

데이터베이스 식별자

CAS: 3096-70-6
PubChem CID: 76543
DTXSID: DTXSID8040272
ChEBI: CHEBI:55545
UNII: 1S8G005MHP
EC Number: 221-448-5
Nikkaji: J107.276E

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 104

물리화학적 성질

녹는점: 181 °C · 181 °C
끓는 점: 296.5 · 296.5±28.0 °C(Predicted)
밀도: 1.118 · 1.118±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 10.47 · 10.47±0.23(Predicted)
색상: 흰색에서 회색, 갈색까지
InChI: InChI=1S/C8H11NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,9H2,1-2H3
InChIKey: GCWYXRHXGLFVFE-UHFFFAOYSA-N
SMILES: C1(O)=CC(C)=C(N)C(C)=C1

화학적 성질

Brown Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H400 (93%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAquatic Acute 1 (93%)

독성 정보

Acute Toxicity LinkChemical: XYLENOL DIMETHYLAMINO

안전 데이터

rtecs: ZE6740000
HS 번호: 2922290090
risk_code: 50
hazard_code: N
safety_code: 61

화학 및 산업

약리 정보

Metabolism/Metabolites4-hydroxy-2,6-dimethylaniline has known human metabolites that include (2S,3S,4S,5R)-6-(4-amino-3,5-dimethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.；4-hydroxy-2,6-dimethylaniline is a known human metabolite of 2,6-Xylidine.

Tissue LocationsKidney；Liver

Metabolite PathwaysLidocaine (Antiarrhythmic) Action Pathway；Lidocaine (Local Anaesthetic) Action Pathway；Lidocaine (Local Anaesthetic) Metabolism Pathway

용도 및 제조

Use ClassificationMETABOLITE-MEXACARBATES

응용 분야

용도A major Lidocaine metabolite.

상·하류 제품 정보

상류 원료

2,6-Dimethyl-[1,4]benzoquinone monooxime 설파닐산 나트륨 염 3,5-자일렌올 염산 아질산 나트륨 Sodium dithionate 수산화나트륨

하류 제품

2,6-디메틸-4-아미노페놀 4-메톡시-2,6-디메틸-아닐린

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

추가 설명

정의ChEBI: A substituted aniline in which the aniline ring carries 4-hydroxy and 2,6-dimethyl substituents; a urinary metabolite of lidocaine.

화합물 노트

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