1-Aminocyclopropane-1-carboxylic acid

HCID 535CAS 22059-21-8

기본 정보

표준 SMILES: NC1(C(=O)O)CC1
InChIKey: PAJPWUMXBYXFCZ-UHFFFAOYSA-N
분자식: C4H7NO2
평균 분자량: 101.1 g/mol
단동위원소 질량: 101.04767847

이름 및 식별자

우선 이름: 1-Aminocyclopropane-1-carboxylic acid
IUPAC: 1-aminocyclopropane-1-carboxylic acid

이름 및 동의어

1-Aminocyclopropanecarboxylic acid22059-21-81-Aminocyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 1-amino-alpha-Aminocyclopropane carboxylic acid1-aminocyclopropane-1-carboxylate1-Aminocyclopropane carboxylic acid3K9EJ633GLNSC-98430DTXSID9039577CHEBI:180531-azaniumylcyclopropane-1-carboxylate

이름 더 보기

ACC acidRefChem:429423DTXCID7019577606-917-8acpc1-Amino-1-cyclopropanecarboxylic acidMFCD000099441-Amino-1-carboxycyclopropane

데이터베이스 식별자

CAS: 22059-21-8
PubChem CID: 535
DTXSID: DTXSID9039577
ChEMBL: CHEMBL265325
ChEBI: CHEBI:18053
UNII: 3K9EJ633GL
EC Number: 606-917-8
Nikkaji: J83.133F

물성

구조 계산 물성

XLogP: -2.8
극성 표면적: 63.3 Å²
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

LogP · 2건

-2.78

Melting Point229 - 231 °C

Physical DescriptionSolid

Dissociation Constants2.73

Collision Cross Section135.6 Å² [M-H]-

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (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 exposure; Respiratory 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.7%)

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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；Extracellular