아세틸메티오닌
N-acetyl-L-methionine
기본 정보
- CAS
65-82-7- 표준 SMILES
CSCC[C@H](NC(C)=O)C(=O)O- InChIKey
XUYPXLNMDZIRQH-LURJTMIESA-N- 분자식
- C7H13NO3S
- 평균 분자량
- 191.25 g/mol
- 단동위원소 질량
- 191.06161445
개요
N-acetyl-L-methionine is an L-methionine derivative that is L-methionine in which one of the amine hydrogens is substituted by an acetyl group. It has a role as a nutraceutical. It is a N-acetylmethionine, a N-acetyl-L-amino acid and a L-methionine derivative. It is a conjugate acid of a N-acetyl-L-methionine(1-). It is an enantiomer of a N-acetyl-D-methionine.
이름 및 식별자
- 우선 이름
- N-acetyl-L-methionine
- IUPAC
- (2S)-2-acetamido-4-methylsulfanylbutanoic acid
- 현지명
- 아세틸메티오닌
- 영어명
- N-Acetyl-L-methionine
- 분자식
- C7H13NO3S
- 분자량
- 191.25
이름 및 동의어
N-Acetyl-L-methionine65-82-7N-AcetylmethionineAcetyl-L-methionineMethionamineThiomedonAcetylmethionineL-(N-Acetyl)methionineL-Methionine, N-acetyl-MethioninAcMetMethionine, N-acetyl-, L-
이름 더 보기
아세틸메티오닌NAMAC-MET-OHN-ACETYL-L-METHIONINE:AC-MET-OHn-acetyl-l-methionin01310-25GN-AC-L-MET
N-Ac-MetNalpha-acetyl-L-methionine(2S)-2-acetamido-4-methylsulfanylbutanoic acid(2S)-2-acetamido-4-(methylsulfanyl)butanoic acidFOLLICUSAN9J12WX5B6ACHEBI:21557DTXSID00883214
데이터베이스 식별자
- CAS
65-82-7- PubChem CID
- 448580
- DTXSID
DTXSID00883214- ChEBI
CHEBI:21557- UNII
- 9J12WX5B6A
- EC Number
- 200-617-7
- Nikkaji
- J4.840B
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 91.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 172
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Cosmetics
Cosmetic ingredients (Acetyl Methionine) -> CIR (Cosmetic Ingredient Review)
Skin conditioning
LogP-0.03
Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food
Solubility307mg/mL at 25 °C
Melting Point105.5 °C
Physical DescriptionSolid
Collision Cross Section
142.6 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
142.7 Ų [M-H]-
물리화학적 성질
- 녹는점
- 103 · 103-106 °C(lit.)
- 끓는 점
- 235 °C · 235 °C(Press: 12 Torr)
- 밀도
- 1.2684 · 1.2684 (rough estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.
Danger
H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Regulation (EC) No 178/2002 (amended)
L-Methionine, N-acetyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (28.6%)
독성 정보
Toxicity Summary
The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl Methionine
Safe for use in cosmetics, with qualifications
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PD0480000
- HS 번호
- 29309070
- risk_code
- 36/37/38
- hazard_code
화학 및 산업
약리 정보
Tissue LocationsPlacenta
용도 및 제조
UsesCIR ingredient: Acetyl Methionine
Use ClassificationCosmetics -> Skin conditioning
General Manufacturing InformationL-Methionine, N-acetyl-: ACTIVE
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: An L-methionine derivative that is L-methionine in which one of the amine hydrogens is substituted by an acetyl group.
관련 반응
15건
화합물 노트
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