3-azetidinecarboxylic Acid

HCID 93192CAS 36476-78-5

基本情報

標準SMILES: O=C(O)C1CNC1
InChIKey: GFZWHAAOIVMHOI-UHFFFAOYSA-N
分子式: C4H7NO2
平均分子量: 101.1 g/mol
単同位体質量: 101.04767846

名称と識別子

優先名称: 3-azetidinecarboxylic Acid
IUPAC: azetidine-3-carboxylic acid

名称と別名

Azetidine-3-carboxylic acid3-Azetidinecarboxylic acid36476-78-53-Carboxyazetidine56Y8G819O3DTXSID1041479RefChem:930203 azetidinecarboxylic AcidAzetidine 3 carboxylic AcidDTXCID9021479674-976-73-azetanecarboxylic acid

名称をさらに表示

MFCD00191763Azetidine-3-carboxylicacidCHA-811CHEMBL3104355-22-01-00023 (Beilstein Handbook Reference)HY-Y0530AKOS004910732EN300-74879

データベース識別子

CAS: 36476-78-5
PubChem CID: 93192
DTXSID: DTXSID1041479
ChEMBL: CHEMBL310435
UNII: 56Y8G819O3
EC Number: 674-976-7
Nikkaji: J89.115K

物性

構造計算による物性

XLogP: -3.2
極性表面積: 49.3 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: 87.7

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.