기본 정보
- 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
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
이름 더 보기
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
Solubility
307000
307mg/mL at 25 °C
Melting Point
105.5
105.5 °C
Collision Cross Section
150.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];142.6 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
142.7 Ų [M-H]-;150.2 Ų [M+Na]+
물리화학적 성질
- 녹는점
- 103 · 103-106 °C(lit.)
- 끓는 점
- 235 °C · 235 °C(Press: 12 Torr)
- 밀도
- 1.2684 · 1.2684 (rough estimate)
- 굴절률
- -21 ° · -21 ° (C=1, H2O)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 100 mg/mL, · 메탄올: 용해성100mg/mL, 투명, 무색
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.5 · 3.50±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- Merck
- 14 · 14,96
- BRN
- 1725552 · 1725552
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- 주요 응용
- 펩타이드 합성
- 화장품 원료 기능
- 피부 컨디셔닝
- 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
- CSCC[C@H](NC(C)=O)C(O)=O
- LogP
- -0.885 · -0.885 (est)
- NIST
- N-acetylmethionine(65-82-7)
- EPA
- L-Methionine, N-acetyl- (65-82-7)
화학적 성질
white crystals
안전 및 규제
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];H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.;Reported as not meeting GHS hazard criteria per 4 of 7 reports by companies.;There are 3 notifications provided by 3 of 7 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 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.
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
규제 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.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PD0480000
- HS 번호
- 29309070
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-00120
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
용도 및 제조
상·하류 제품 정보
상류 원료
공급사50 곳
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
연결된 노트
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