1-(アミノメチル)シクロプロパンカルボン酸 HYDROCHLORIDE

1-(Aminomethyl)cyclopropanecarboxylic acid

HCID 15033901

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 139126-45-7
標準SMILES: NCC1(C(=O)O)CC1
InChIKey: MJQJJFZHAQFTDZ-UHFFFAOYSA-N
分子式: C5H9NO2
平均分子量: 115.13 g/mol
単同位体質量: 115.06332853

名称と識別子

優先名称: 1-(Aminomethyl)cyclopropanecarboxylic acid
IUPAC: 1-(aminomethyl)cyclopropane-1-carboxylic acid
現地名: 1-(アミノメチル)シクロプロパンカルボン酸 HYDROCHLORIDE
英語名: 1-(Aminomethyl)cyclopropanecarboxylic acid
分子式: C5H9NO2
分子量: 115.13

名称と別名

139126-45-71-(AMINOMETHYL)CYCLOPROPANECARBOXYLIC ACID1-(AMINOMETHYL)CYCLOPROPANE-1-CARBOXYLIC ACIDCyclopropanecarboxylic acid, 1-(aminomethyl)-cyclopropanecarboxylic acid, 1-(aminomethyl)-, hydrochlorideCHEMBL370314SCHEMBL1527341SCHEMBL3636622MJQJJFZHAQFTDZ-UHFFFAOYSA-NDTXSID401381702ALBB-012827MFCD06212872

名称をさらに表示

1-(アミノメチル)シクロプロパンカルボン酸 HYDROCHLORIDE1-(アミノメチル)シクロプロパンカルボン酸HYDROCHLORIDE1-(アミノメチル)シクロプロパンカルボン酸KML-34CML-031RARECHEM AL BW 08101-Aminomethyl-cyclopropanecarb1-(aminomethyl)cyclopropanecarboxylic acid 1HCl1-Aminomethyl-cyclopropanecarboxylic acid x HCl, 98%1-(aminomethyl)cyclopropanecarboxylic acid hydrochloride

AKOS005173918MB037171-Aminomethyl-cyclopropanecarboxylic acidSY0725201-(amino-methyl)cyclopropanecarboxylic acid1-aminomethyl-1-cyclopropanecarboxylic acidDB-110975CS-0054282

データベース識別子

CAS: 139126-45-7
PubChem CID: 15033901
DTXSID: DTXSID401381702
ChEMBL: CHEMBL370314
EC Number: 802-814-9

物性

構造計算による物性

XLogP: -3.2
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: 2
重原子数: 8
形式電荷: 0
複雑度: 118

物理化学的性質

沸点: 247 · 247.0±13.0 °C(Predicted)
比重(密度): 1.298 · 1.298±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 3.37 · 3.37±0.20(Predicted)
外見: solid
InChI: 1S/C5H9NO2/c6-3-5(1-2-5)4(7)8/h1-3,6H2,(H,7,8)
InChIKey: MJQJJFZHAQFTDZ-UHFFFAOYSA-N
SMILES: NCC1(CC1)C(O)=O

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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 CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)

安全データ

wgk: WGK 3
risk_code: 22-36
hazard_code: Xn
safety_code: 26
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

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化合物ノート

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