1-Aminocyclopropane-1-carboxylic acid

HCID 535CAS 22059-21-8

基本情報

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

名称と識別子

優先名称: 1-Aminocyclopropane-1-carboxylic acid
IUPAC: 1-aminocyclopropane-1-carboxylic acid

名称と別名

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

名称をさらに表示

ACC acidRefChem:429423DTXCID7019577606-917-8acpc1-Amino-1-cyclopropanecarboxylic acidMFCD000099441-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 Å²
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

LogP · 2 件

-2.78

Melting Point229 - 231 °C

Physical DescriptionSolid

Dissociation Constants2.73

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

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

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