N-Acetyl-DL-methionine (HCID 6180)

名称と識別子

優先名称: N-Acetyl-DL-methionine
IUPAC: 2-acetamido-4-methylsulfanylbutanoic acid
現地名: N-アセチル-DL-メチオニン
英語名: N-Acetyl-DL-methionine
分子式: C7H13NO3S
分子量: 191.25

名称と別名

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

名称をさらに表示

N-アセチル-DL-メチオニンrac-(R*)-2-(アセチルアミノ)-4-(メチルチオ)ブタン酸rac-(R*)-2-(アセチルアミノ)-4-(メチルチオ)酪酸rac-(R*)-4-(メチルチオ)-2-(アセチルアミノ)ブタン酸rac-(R*)-2-[(1-オキソエチル)アミノ]-4-メチルチオブタン酸rac-(R*)-4-メチルチオ-2-(アセチルアミノ)ブタン酸rac-(S*)-2-(アセチルアミノ)-4-(メチルチオ)ブタン酸(±)-N-アセチルメチオニンN‐アセチル‐DL‐メチオニンアセチル-DL-メチオニンアセチル-DL-メチオニン, N-N-アセチル-DL-メチオニン, 99%dl-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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.1
極性表面積: 91.7 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 172

物理化学的性質

融点: 117 · 117-119 °C(lit.)
沸点: 453.6 · 453.6±40.0 °C(Predicted)
比重(密度): 1.2684 · 1.2684 (rough estimate)
屈折率: 1.637 · 1.6370 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 3.5 · 3.50±0.10(Predicted)
色: ホワイトからオフホワイト
水溶解度: 水、エタノール、酢酸エチルに可溶。
Merck: 14 · 14,96
BRN: 1725554 · 1725554
主な用途: ペプチド合成
化粧品成分の機能: スキンコンディショニング
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
CAS データベース: 1115 · 1115-47-5(CAS DataBase Reference)
EPAの化学物質情報: Methionine, N-acetyl- (1115-47-5)

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

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%)

法規制情報

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

安全データ

wgk: 3
tsca: TSCA listed
rtecs: PD0500000
hs_code: 29309070
risk_code: 36/37/38
化審法: (9)-1631
hazard_code: Xi
safety_code: 26-36-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationMethionine, N-acetyl-: ACTIVE

応用分野

説明N-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.

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