기본 정보
- 표준 SMILES
COc1ccc(NC(C)=O)cc1- InChIKey
XVAIDCNLVLTVFM-UHFFFAOYSA-N- 분자식
- C9H11NO2
- 평균 분자량
- 165.19 g/mol
- 단동위원소 질량
- 165.07897859
개요
Methacetin is a member of the class of acetamides that is paracetamol in which the hydrogen of phenolic hydroxy group has been replaced by a methyl group. It is a member of acetamides and an aromatic ether. It is functionally related to a paracetamol and a p-anisidine.
이름 및 식별자
- 우선 이름
- N-(4-Methoxyphenyl)Acetamide
- IUPAC
- N-(4-methoxyphenyl)acetamide
- 영어명
- Methacetin
- 분자식
- C9H11NO2
- 분자량
- 165.19
이름 및 동의어
N-(4-Methoxyphenyl)acetamide51-66-14'-MethoxyacetanilideMethacetinp-Acetanisidinep-MethoxyacetanilideAceto-p-anisidideN-Acetyl-p-anisidineAcetyl-p-anisidineN-Acetyl-p-methoxyanilineNSC 4687DTXSID6026325
이름 더 보기
p-acetaniside4-Methoxy acetanlideMetacetinacetaniside4-AcetanisideAURORA KA-3672MethacetinN-(4-p-Acetanasidine
13E468TFHPNSC-4687DTXCID806325CHEBI:139354RefChem:162178200-114-2p-Acetanisidide4-METHOXYACETANILIDE
데이터베이스 식별자
- CAS
51-66-1- PubChem CID
- 5827
- DTXSID
DTXSID6026325- ChEMBL
CHEMBL3183230- ChEBI
CHEBI:139354- UNII
- 13E468TFHP
- EC Number
- 200-114-2
- Nikkaji
- J4.122J
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 151
실험 및 물리화학적 성질
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
물리화학적 성질
- 녹는점
- 128 · 128-130 °C(lit.)
- 끓는 점
- 293.03 °C · 293.03°C (rough estimate)
- 밀도
- 1.1603 · 1.1603 (rough estimate)
- 굴절률
- 1.5839 · 1.5839 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 수정 같은
- 산도 계수 (pKa)
- 14.53 · 14.53±0.70(Predicted)
- 색상
- 하얀색
- 수용성
- 0.42 g/100mL · 0.42g/100mL(20℃)
- Merck
- 14 · 14,51
- BRN
- 387887 · 387887
- 안정성
- 흡습성
- NIST
- N-(4-Methoxyphenyl)acetic acid amide(51-66-1)
- EPA
- Acetamide, N-(4-methoxyphenyl)- (51-66-1)
화학적 성질
LIGHT BEIGE CRYSTALLINE POWDER
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- AE8290000
- 독성
- LD50 orl-mus: 1190 mg/kg TXAPA9 19,20,71
- HS 번호
- 29242990
- risk_code
- 22-36/38
- hazard_code
- Xn,Xi
- safety_code
- 36-37/39-26
화학 및 산업
약리 정보
Metabolism/MetabolitesP-Methoxyacetanilide has known human metabolites that include acetaminophen.
용도 및 제조
General Manufacturing InformationAcetamide, N-(4-methoxyphenyl)-: ACTIVE
응용 분야
용도Methacetin is evaluated in a breath test to predict early liver disfunction due to valproic acid and other cause. Methacetin breath test (MBT) is a rapid, non-invasive assessment of liver function in acute severe liver disease and a potential key tool in future dignosis.
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