CAS 220352-38-5 (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (HCID 9834068)

基本情報

CAS: 220352-38-5
標準SMILES: N[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIKey: QVUBIQNXHRPJKK-IMTBSYHQSA-N
分子式: C9H9F2N
平均分子量: 169.17 g/mol
単同位体質量: 169.07030573

名称と識別子

優先名称: (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine
IUPAC: trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
現地名: (1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン
英語名: ethyCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)- (REACH)
分子式: C9H9F2N
分子量: 169.17

名称と別名

220352-38-5(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamineOIY4B72TG1(1R,2S)-2-(3,4-difluorophenyl)cyclopropylamineUNII-OIY4B72TG1DTXSID704314432-(3,4-Difluorophenyl)cyclopropanamine, (1R,2S)-RefChem:68340DTXCID80382275606-906-81006614-49-8(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPAN-1-AMINE

名称をさらに表示

(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミンTICAGRELOR EP IMP E(1R,2S)-2-(3,4-Difluorophenethyl)cyclopropanamineAmitriptyline Impurity 5( Amitriptyline EP Impurity E)ethyCyclopropanaMine, 2-(3,4-difluorophenyl)-, (1R,2S)-(1R,2S)-2-(3,4-Difluorophenyl)-cyclopropanamine mandelateethyCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)- (REACH)C17H17F2NO3 ethyCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)- (REACH) 220352-38-5

MFCD16621156(1R,2S)-rel-2-(3,4-Difluorophenyl)cyclopropanamineCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-rac-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine(1R,2S)-2-(3,4-DIFLUORO-PHENYL)-CYCLOPROPYLAMINECyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-rel-(1R, 2S)-Rel-2-(3, 4-Difluorophenyl)cyclopropanamineTicagrelor Impurity E

物性

構造計算による物性

XLogP: 1.4
極性表面積: 26 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: 12
形式電荷: 0
複雑度: 174

物理化学的性質

沸点: 212 ℃ · 212℃
比重(密度): 1.268 · 1.268
闪点: 103 ℃ · 103℃
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 8.07 · 8.07±0.70(Predicted)
外見: powder
色: Pale yellow

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.