基本情報
- 標準SMILES
NC(CC(=O)O)C(=O)O- InChIKey
CKLJMWTZIZZHCS-UHFFFAOYSA-N- 分子式
- C4H7NO4
- 平均分子量
- 133.1 g/mol
- 単同位体質量
- 133.0375077
概要
Aspartic acid is an alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. It has a role as a fundamental metabolite. It is a polar amino acid, an alpha-amino acid and a C4-dicarboxylic acid. It contains a carboxymethyl group. It is a conjugate acid of an aspartate and an aspartate(1-).
名称と識別子
- 優先名称
- (+-)-Aspartic Acid
- IUPAC
- 2-aminobutanedioic acid
名称と別名
(+-)-Aspartic acidRefChem:905505DL-ASPARTIC ACID617-45-82-aminobutanedioic acidDL-Aminosuccinic acidDL-Asparagic acidAspartic acid, DL-DL-Asp-OHAcid D,L-aspartH-DL-Asp-OH(+/-)-2-Aminosuccinic acid
名称をさらに表示
(+/-)-Aspartic AcidDL-ASPARTIC ACID (3-13C)L-ASPARTIC-4-13C ACIDD-Asparagic acid28XF4669EPNSC620336NSC-141379Butanedioic acid, (S)-
データベース識別子
- CAS
1783-96-6、56-84-8、617-45-8- PubChem CID
- 424
- DTXSID
DTXSID30859003- ChEBI
CHEBI:22660- UNII
- 28XF4669EP
- EC Number
- 210-513-3
- Nikkaji
- J1.278E
物性
構造計算による物性
- XLogP
- -2.8
- 極性表面積
- 101 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 133
実験および物理化学的性質
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 97.9% (138 of 141) of all reports.
Not Classified
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: DL-Aspartic acid
Status: Active Update: 24-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5880
Other Safety InformationIMAP assessments - DL-Aspartic acid: Environment tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Aspartic acid.
Hazard Classes and CategoriesNot Classified
化学と産業
用途と製造
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
関連反応
31 件
関連ノート
読み込み中…