N-아세틸-DL-메티오닌

N-Acetyl-DL-methionine

HCID 6180CAS 1115-47-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CSCCC(NC(C)=O)C(=O)O
InChIKey: XUYPXLNMDZIRQH-UHFFFAOYSA-N
분자식: C7H13NO3S
평균 분자량: 191.25 g/mol
단동위원소 질량: 191.06161445

이름 및 식별자

우선 이름: N-Acetyl-DL-methionine
IUPAC: 2-acetamido-4-methylsulfanylbutanoic acid
현지명: N-아세틸-DL-메티오닌
영어명: N-Acetyl-DL-methionine
분자식: C7H13NO3S
분자량: 191.25

이름 및 동의어

N-Acetyl-DL-methionineMETHIONINE, N-ACETYL-RefChem:8288721115-47-5Ac-DL-Met-OHAcetyl-DL-methionineDL-Methionine, N-acetyl-DL-N-AcetylmethionineMethionine, N-acetyl-, DL-N-Acetylmethionine, DL-2-acetamido-4-methylsulfanylbutanoic aciddl-Acetylmethionine

이름 더 보기

N-아세틸-DL-메티오닌dl-methioninN-AC-DL-METMETHIONAMINEN-Ac-DL-Met-OHN-ACETYL-DL-METAC-DL-METHIONINEN-Ac-Dl-Methioninen-acetyl-dl-methioni

N-acetyl-D,L-methionineN-ACETYL-METHIONINE2-acetamido-4-methylsulfanyl-butanoic acid2-acetamido-4-(methylsulfanyl)butanoic acid383941IGXNNSC-76332-Acetamido-4-(methylthio)butanoic acidN-Acetyl(methyl)homocysteine

데이터베이스 식별자

CAS: 1115-47-5、65-82-7
PubChem CID: 6180
DTXSID: DTXSID5037022
ChEMBL: CHEMBL45002
ChEBI: CHEBI:132958
UNII: 383941IGXN
EC Number: 214-224-3

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 91.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 117 · 117-119 °C(lit.)
끓는 점: 453.6 · 453.6±40.0 °C(Predicted)
밀도: 1.2684 · 1.2684 (rough estimate)
굴절률: 1.637 · 1.6370 (estimate)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.5 · 3.50±0.10(Predicted)
색상: 흰색에서 황백색까지
수용성: 물, 에탄올, 에틸 아세테이트에 용해됩니다.
Merck: 14 · 14,96
BRN: 1725554 · 1725554
주요 응용: 펩타이드 합성
화장품 원료 기능: 피부 컨디셔닝
InChI: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKey: XUYPXLNMDZIRQH-LURJTMIESA-N
SMILES: C(O)(=O)[C@H](CCSC)NC(C)=O
EPA: Methionine, N-acetyl- (1115-47-5)

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.

Danger

H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 4 of 6 reports by companies.；There is 1 notification provided by 2 of 6 reports by companies with hazard statement code(s).；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

Regulatory InformationN-Acetyl-DL-Methionine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Dam. 1 (33.3%)

규제 정보

Regulatory InformationN-Acetyl-DL-Methionine: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: PD0500000
HS 번호: 29309070
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
기존화학 물질: KE-00121
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationMethionine, N-acetyl-: ACTIVE

응용 분야

개요N-acetylmethionine is a methionine derivative that is methionine in which one of the amine hydrogens is substituted by an acetyl group.It is a conjugate acid of a N-acetylmethioninate.

용도N-Acetyl-DL-methionine is used as pharmaceutical intermediate, biochemical reagent.