基本情報
- CAS
1069-48-3- 標準SMILES
C=CCC(N)C(=O)O- InChIKey
WNNNWFKQCKFSDK-UHFFFAOYSA-N- 分子式
- C5H9NO2
- 平均分子量
- 115.13 g/mol
- 単同位体質量
- 115.06332853
概要
Allylglycine is a glycine derivative that is glycine substituted by a prop-1-en-3-yl group at position 2. It has a role as an EC 4.1.1.15 (glutamate decarboxylase) inhibitor. It is a glycine derivative, an alpha-amino acid and an olefinic compound.
名称と識別子
- 優先名称
- 2-Amino-4-Pentenoic Acid
- IUPAC
- 2-aminopent-4-enoic acid
- 英語名
- DL-Allylglycine
- 分子式
- C5H9NO2
- 分子量
- 115.13
名称と別名
7685-44-12-Amino-4-pentenoic acidALLYLGLYCINE4-Pentenoic acid, 2-amino-DTXSID701313217RefChem:110909DTXCID20982091231-689-82-aminopent-4-enoic acidDL-AllylglycineDl-2-Amino-4-Pentenoic Acid1069-48-3
名称をさらに表示
H-D-ALGLY-OHD-C-ALLYLGLYCINEH-D-GLY(ALLYL)-OHH-ALLYL-D-GLYCINE3-VINYL-D-ALANINED-ALPHA-ALLYL-GLYRARECHEM BK PT 0252D-ALPHA-ALLYL-GLYCINE2-aminopent-4-enoicaci
DL-2-Allylglycinedl-c-AllylglycineMFCD00063103DL-2-Aminopent-4-enoic acid4-Pentenoic acid, 2-amino-, (+/-)-H-DL-Allyl-Gly-OHEINECS 231-689-8NSC 20898
データベース識別子
- CAS
1069-48-3、7685-44-1- PubChem CID
- 14044
- DTXSID
DTXSID701313217- ChEMBL
CHEMBL4096969- ChEBI
CHEBI:231976
物性
構造計算による物性
- XLogP
- -2.3
- 極性表面積
- 63.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 101
物理化学的性質
- 貯蔵温度
- 2 · 2-8°C
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- wgk
- 3
- safety_code
- 22-24/25
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.
Drugs that bind to but do not activate GABA RECEPTORS, thereby blocking the actions of endogenous GAMMA-AMINOBUTYRIC ACID and GABA RECEPTOR AGONISTS.
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関連反応
2 件
化合物ノート
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