1-Aminocyclopropane-1-carboxylic acid
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID · ACC · Ac3c · 1-AMinocyclopropane-1-carboxylate · H-ACPC-OH · AMinocyclopropanecarboxylic acid · Cyclopropanecarboxylic acid, 1-amino- · 1-AMINO-1-CYCLOPROPANECARBOXYLIC ACID
식별자 및 물리적 특성
| CAS No. | 22059-21-8 |
|---|---|
| 분자식 | C4H7NO2 |
| 평균 분자량 | 101.1 g/mol |
| 단동위원소 질량 | 101.04767847 g/mol |
| SMILES | NC1(C(=O)O)CC1 |
| InChIKey | PAJPWUMXBYXFCZ-UHFFFAOYSA-N |
| PubChem CID | 535 |
| ChEMBL | CHEMBL265325 |
| ChEBI | CHEBI:18053 |
| EC No. | 606-917-8 |
| DTXSID | DTXSID9039577 |
화학 및 물리적 성질
| XLogP | -2.8 |
|---|---|
| 극성 표면적 | 63.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 106 |
| LogP(분배 계수) | -2.78 |
| 녹는점 | 229 - 231 °C229-231 °C (lit.) |
| Physical Description | Solid |
| Dissociation Constants | 2.73 |
| Collision Cross Section | 135.6 Ų [M-H]- |
| 끓는 점 | 189.47°C (rough estimate) |
| 밀도 | 1.2245 (rough estimate) |
| 굴절률 | 1.4340 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | DMSO(약간 용해됨), 물(약간 용해됨) |
| 물리적 상태 | 분말 및 과립 |
| pKa(산도 계수) | 2.29±0.20(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 물에 용해됩니다. |
| BRN | 2076413 |
| 안정성 | -20°C의 냉동고에 보관하세요 |
| 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 |
화학적 성질
Crystalline
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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.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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.7%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | GZ1110000 |
| 관세 코드 | 29213000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-37/39 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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.
용도
1-Aminocyclopropane-1-carboxylic Acid is a plant growth regulator. It is an NMDA agonist acting at the glycine site.
일반 설명
1-Aminocyclopropanecarboxylic acid is a member of 1-aminocycloalkanecarboxylic acids.