1-アミノシクロプロパンカルボン酸
1-Aminocyclopropane-1-carboxylic acid
基本情報
- CAS
22059-21-8- 標準SMILES
NC1(C(=O)O)CC1- InChIKey
PAJPWUMXBYXFCZ-UHFFFAOYSA-N- 分子式
- C4H7NO2
- 平均分子量
- 101.1 g/mol
- 単同位体質量
- 101.04767847
概要
1-aminocyclopropanecarboxylic acid is a non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. It has a role as a member of ethylene releasers and a plant metabolite. It is a monocarboxylic acid and a non-proteinogenic alpha-amino acid. It is functionally related to a cyclopropanecarboxylic acid. It is a conjugate acid of a 1-aminocyclopropanecarboxylate. It is a tautomer of a 1-aminocyclopropanecarboxylic acid zwitterion.
名称と識別子
- 優先名称
- 1-Aminocyclopropane-1-carboxylic acid
- IUPAC
- 1-aminocyclopropane-1-carboxylic acid
- 現地名
- 1-アミノシクロプロパンカルボン酸
- 英語名
- 1-Aminocyclopropanecarboxylic acid
- 分子式
- C4H7NO2
- 分子量
- 101.1
名称と別名
1-Aminocyclopropanecarboxylic acid22059-21-81-Aminocyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 1-amino-ACC acidalpha-Aminocyclopropane carboxylic acid1-aminocyclopropane-1-carboxylate1-Aminocyclopropane carboxylic acid3K9EJ633GLNSC-98430DTXSID9039577CHEBI:18053
名称をさらに表示
1-アミノシクロプロパンカルボン酸1-アミノシクロプロパン-1α-カルボン酸2,2-エタノグリシン1-アミノ-1-シクロプロパンカルボン酸1-アミノシクロプロパン-1-カルボン酸アミノシクロプロパンカルボン酸カルボキシシクロプロピルアミン1‐アミノ‐1‐シクロプロパンカルボン酸1-アミノシクロプロパン-1-カルボン酸, 結晶ACCAc3cH-ACPC-OHAMinocyclopropanecarboxylic acid1-Aminocyclopropane-1-carboxylic acid (ACC)Acpc-OH
RefChem:429423DTXCID7019577606-917-81-azaniumylcyclopropane-1-carboxylateacpcMFCD000099441-Amino-1-cyclopropanecarboxylic acid1-Amino-1-carboxycyclopropane
データベース識別子
- CAS
22059-21-8- PubChem CID
- 535
- DTXSID
DTXSID9039577- ChEMBL
CHEMBL265325- ChEBI
CHEBI:18053- UNII
- 3K9EJ633GL
- EC Number
- 606-917-8
- Nikkaji
- J83.133F
物性
構造計算による物性
- XLogP
- -2.8
- 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
- 1
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 106
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Pesticides
Other Treatment
Active substance -> EU Pesticides database: Pending
LogP-2.78
Melting Point229 - 231 °C
Physical DescriptionSolid
Dissociation Constants2.73
Collision Cross Section135.6 Ų [M-H]-
物理化学的性質
- 融点
- 229 · 229-231 °C (lit.)
- 沸点
- 189.47 °C · 189.47°C (rough estimate)
- 比重(密度)
- 1.2245 · 1.2245 (rough estimate)
- 屈折率
- 1.434 · 1.4340 (estimate)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- DMSO（微量）、水（微量）
- 外見
- 粉粒体
- 酸解離定数(Pka)
- 2.29 · 2.29±0.20(Predicted)
- 色
- ホワイトからオフホワイト
- 水溶解度
- 水に溶ける。
- BRN
- 2076413 · 2076413
- 安定性
- -20 ℃の冷凍庫で保存 · -20℃の冷凍庫で保存
- InChI
- InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
- InChIKey
- PAJPWUMXBYXFCZ-UHFFFAOYSA-N
- SMILES
- C1(N)(C(O)=O)CC1
- CAS データベース
- 22059 · 22059-21-8(CAS DataBase Reference)
化学的性質
化学的特性Crystalline
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, P280, P302+P352, P304+P340, P305+P351+P338, 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 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
Regulatory InformationREACH registered substance: 1-aminocyclopropane-1-carboxylic acid (EC: 606-917-8)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- wgk
- 3
- rtecs
- GZ1110000
- hs_code
- 29213000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Cellular LocationsCytoplasm
応用分野
用途有機合成用試薬。
説明1-Aminocyclopropanecarboxylic acid (ACPC) is an intermediate in the synthesis of ethylene, the plant hormone responsible for biological processes ranging from seed germination to organ senescence. ACPC has been shown to modulate NMDA receptor activity by acting as a partial agonist at the glycine-binding site on NMDA receptors (EC50 = 0.7-0.9 μM) in the presence of low levels (1 μM) of glutamate and as a competitive antagonist at the glutamate-binding site on NMDA receptors (EC50 = 81.6 nM) with high levels (10 μM) of glutamate. This compound has been reported to protect against neuron cell death in in vivo models of ischemia by enabling moderate levels of NMDA receptor activation and attenuating any excess NMDA receptor signaling that may lead to neurotoxicity.
使用1-Aminocyclopropane-1-carboxylic Acid is a plant growth regulator. It is an NMDA agonist acting at the glycine site.
一般的な説明1-Aminocyclopropanecarboxylic acid is a member of 1-aminocycloalkanecarboxylic acids.
上流・下流製品情報
上流原料
下流製品
補足説明
定義ChEBI: 1-aminocyclopropanecarboxylic acid is a non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. It has a role as a plant metabolite and a member of ethylene releasers. It is a monocarboxylic acid and a non-proteinogenic alpha-amino acid. It is functionally related to a cyclopropanecarboxylic acid. It is a conjugate acid of a 1-aminocyclopropanecarboxylate. It is a tautomer of a 1-aminocyclopropanecarboxylic acid zwitterion.
関連反応
87 件
化合物ノート
読み込み中…