结构:CSCCC(NC(C)=O)C(=O)O
HCID6180

N-Acetyl-DL-methionine

2-acetamido-4-methylsulfanylbutanoic acid

C7H13NO3S191.25 g/molCAS 1115-47-5

IDENTITY

结构与身份

标准 SMILES
CSCCC(NC(C)=O)C(=O)O
InChIKey
XUYPXLNMDZIRQH-UHFFFAOYSA-N
分子式
C7H13NO3S
平均分子量
191.25 g/mol
单同位素质量
191.06161445

COMPUTED

结构计算性质

已同步
XLogP
0.1
极性表面积
91.7 Ų
氢键供体
2
氢键受体
4
可旋转键
5
重原子
12
形式电荷
0
复杂度
172

GHS

GHS 分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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

Hazard Classes and Categories

Eye Dam. 1 (33.3%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

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

USES

用途与制造

来源:PubChem
General Manufacturing Information

Methionine, N-acetyl-: ACTIVE

ALIASES

名称与别名

82
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-AcetylmethionineN-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

REACTIONS

参与反应

18
HRID289388

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 289388 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID946853

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 946853 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看条件与参与物