4-(アミノメチル)-1,3-オキサゾール

1,3-Oxazol-4-ylmethanamine

HCID 23055690

ノート反応

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基本情報

CAS: 55242-82-5
標準SMILES: NCc1cocn1
InChIKey: ULZXEYFKBUPRQM-UHFFFAOYSA-N
分子式: C4H6N2O
平均分子量: 98.1 g/mol
単同位体質量: 98.04801281

名称と識別子

優先名称: 1,3-Oxazol-4-ylmethanamine
IUPAC: 1,3-oxazol-4-ylmethanamine
現地名: 4-(アミノメチル)-1,3-オキサゾール
英語名: Oxazol-4-yl-methylamine hydrochloride
分子式: C4H6N2O
分子量: 98.1

名称と別名

1,3-oxazol-4-ylmethanamineRefChem:415395816-813-655242-82-5OXAZOL-4-YL-METHYLAMINEOxazol-4-ylmethanamine4-OXAZOLEMETHAMINE4-(AMINOMETHYL)OXAZOLE4-(Aminomethyl)-1,3-oxazoleMFCD04114937(1,3-Oxazol-4-yl)methylamine9OI

名称をさらに表示

4-(アミノメチル)-1,3-オキサゾールオキサゾール-4-イルメタンアミンoxazol-4-ylMethanaMine hydrochlorideC-oxazol-4-yl-methylamineN-Methyl-1,3-oxazol-4-aMineN-chloro(oxazol-4-yl)methanamine

4-aminomethyl-oxazoleSCHEMBL349377SCHEMBL4573333SCHEMBL4927594(1,3-oxazol-4-yl)methanamineDTXSID50630098ULZXEYFKBUPRQM-UHFFFAOYSA-N1-(1,3-Oxazol-4-yl)methanamine

データベース識別子

CAS: 55242-82-5
PubChem CID: 23055690
DTXSID: DTXSID50630098
EC Number: 816-813-6

物性

構造計算による物性

XLogP: -0.8
極性表面積: 52.1 Å²
水素結合供与体数: 1
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: 57.7

物理化学的性質

沸点: 183 ℃ · 183℃
比重(密度): 1.148 · 1.148
闪点: 65 ℃ · 65℃
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 7.46 · 7.46±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2934999090
hazard_code: Xi

化学と産業

応用分野

使用Oxazol-4-yl-methanamine is used as a reactant in the preparation of piperazin-1-yl-pyridazine-based selective stearoyl-CoA desaturase-1 inhibitors for the treatment of obesity and metabolic syndrome.