(R)-(-)-3-フルオロピロリジン塩酸塩

(3R)-3-fluoropyrrolidine hydrochloride

HCID 2759162

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 136725-55-8
標準SMILES: Cl.F[C@@H]1CCNC1
InChIKey: LENYOXXELREKGZ-PGMHMLKASA-N
分子式: C4H9ClFN
平均分子量: 125.57 g/mol
単同位体質量: 125.04075519

名称と識別子

優先名称: (3R)-3-fluoropyrrolidine hydrochloride
IUPAC: (3R)-3-fluoropyrrolidine;hydrochloride
現地名: (R)-(-)-3-フルオロピロリジン塩酸塩
英語名: (R)-(-)-3-Fluoropyrrolidine hydrochloride
分子式: C4H9ClFN
分子量: 125.57

名称と別名

(3R)-3-fluoropyrrolidine hydrochloridePyrrolidine, 3-fluoro-, hydrochloride (1:1), (3R)-RefChem:400929628-395-0136725-55-8(r)-3-fluoropyrrolidine hydrochloride(R)-(-)-3-Fluoropyrrolidine hydrochlorideMFCD04038717(R)-3-fluoropyrrolidine HCl(3R)-3-fluoropyrrolidine;hydrochlorider-(-)-3-fluoropyrrolidine hydrochlorideC4H9ClFN

名称をさらに表示

(R)-(-)-3-フルオロピロリジン塩酸塩(R)-(−)-3-フルオロピロリジン塩酸塩EOS-605253-FLUORO PYRROLIDINE HCL3(R)-fluoropyrrolidine(HCl)(R)-3-FLUORO-PYRROLIDINE HCL(R)-3-Fluoropyrrolidine h...(3R)-3-fluoropyrrolidin-1-ium(R)-3-Fluoro-pyrrolidine HCl salt(R)-fluoropyrrolidine (Hydrochloride)?-(-)-3-Fluoropyrrolidine hydrochloride

DTXSID10374663AKOS015898154(R)-3-fluoropyrrolidin-1-ium chloride(R)-3-Fluoropyrrolidine (hydrochloride)HY-40421EN300-243783(R)-3-fluoro-pyrrolidine hydrochloride(S)-(+)-3-Fluoropyrrolidine HCl

データベース識別子

CAS: 136725-55-8
PubChem CID: 2759162
DTXSID: DTXSID10374663
EC Number: 628-395-0

物性

構造計算による物性

極性表面積: 12 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 46.8

物理化学的性質

融点: 179 · 179-186 °C
貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
色: Off-white
InChI: InChI=1/C4H8FN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H/t4-;/s3
InChIKey: LENYOXXELREKGZ-NDILARRWNA-N
SMILES: F[C@H]1CNCC1.Cl |&1:1,r|
CAS データベース: 136725 · 136725-55-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (81.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (81.6%)

安全データ

wgk: 3
tsca: N
hs_code: 29339900
risk_code: 22-36/37/38
hazard_code: Xn,Xi
hazard_note: Moisture Sensitive
safety_code: 26
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用(R)-()-3-Fluoropyrrolidine hydrochloride may be used as a substrate in the preparation of:Imidazo[1,2-a]pyrazine derivatives as possible aurora kinase inhibitors.Pyrazolopyrimidine derivatives as possible PDE10A Inhibitors.