1-Aminocyclopropane-1-carboxylic acid
기본 정보
- CAS
22059-21-8- 표준 SMILES
NC1(C(=O)O)CC1- InChIKey
PAJPWUMXBYXFCZ-UHFFFAOYSA-N- 분자식
- C4H7NO2
- 평균 분자량
- 101.1 g/mol
- 단동위원소 질량
- 101.04767847
개요
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.
이름 및 식별자
- 우선 이름
- 1-Aminocyclopropane-1-carboxylic acid
- IUPAC
- 1-aminocyclopropane-1-carboxylic acid
- 영어명
- 1-Aminocyclopropanecarboxylic acid
- 분자식
- C4H7NO2
- 분자량
- 101.1
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
22059-21-8- PubChem CID
- 535
- DTXSID
DTXSID9039577- ChEMBL
CHEMBL265325- ChEBI
CHEBI:18053
물성
구조 계산 물성
- XLogP
- -2.8
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 106
실험 및 물리화학적 성질
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]-
물리화학적 성질
- 녹는점
- 229 · 229-231 °C (lit.)
- 끓는 점
- 189.47 °C · 189.47°C (rough estimate)
- 밀도
- 1.2245 · 1.2245 (rough estimate)
- 굴절률
- 1.434 · 1.4340 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Regulatory InformationREACH registered substance: 1-aminocyclopropane-1-carboxylic acid (EC: 606-917-8)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- rtecs
- GZ1110000
- HS 번호
- 29213000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
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
응용 분야
개요1-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.
용도1-Aminocyclopropane-1-carboxylic Acid is a plant growth regulator. It is an NMDA agonist acting at the glycine site.
일반 설명1-Aminocyclopropanecarboxylic acid is a member of 1-aminocycloalkanecarboxylic acids.
상·하류 제품 정보
상류 원료
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87건
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