CAS 58281-79-1 methyl (2S,4S)-4-fluoropyrrolidine-2-carboxylate hydrochloride (HCID 56777038)

基本情報

CAS: 58281-79-1
標準SMILES: COC(=O)[C@@H]1C[C@H](F)CN1.Cl
InChIKey: SJLXDUCYXKAYFC-FHAQVOQBSA-N
分子式: C6H11ClFNO2
平均分子量: 183.61 g/mol

名称と識別子

優先名称: methyl (2S,4S)-4-fluoropyrrolidine-2-carboxylate hydrochloride
IUPAC: methyl (2S,4S)-4-fluoropyrrolidine-2-carboxylate;hydrochloride
現地名: (4S)-4-フルオロ-L-プロリン酸メチル
英語名: (2S,4S)-4-Fluoro-2-methoxycarbonyl-pyrrolidine HCl
分子式: C6H10FNO2.ClH
分子量: 183.61

名称と別名

58281-79-1methyl (2S,4S)-4-fluoropyrrolidine-2-carboxylate hydrochlorideRefChem:812214830-432-2(2S,4S)-Methyl 4-fluoropyrrolidine-2-carboxylate hydrochloride(2S,4S)-Methyl 4-fluoropyrrolidine-2-carboxylate HClMFCD07374353methyl (2S,4S)-4-fluoropyrrolidine-2-carboxylate;hydrochlorideCIS-4-FLUORO-L-PROLINE METHYL ESTER HYDROCHLORIDESCHEMBL1493678(2S,4S)-4-FLUORO-2-METHOXYCARBONYL-PYRROLIDINE HCLAKOS015849647

名称をさらに表示

(4S)-4-フルオロ-L-プロリン酸メチル(4S)-4-フルオロ-L-プロリン酸メチル塩酸塩(4S)-4-Fluoro-L-proline Methyl ester HClCIS-4-FLUORO-PYRROLIDINE-2-CARBOXYLIC ACID METHYL ESTER(4S)-4-fluoro-L-Proline methyl ester hydrochloride (1:1)(2S,4S)-4-Fluoro-2-methoxycarbonylpyrrolidinehydrochlorideL-Proline, 4-fluoro-, methyl ester, hydrochloride (1:1), (4S)-

EN300-193075cis-4-Fluoro-L-proline methyl ester hydrochloride, AldrichCPR(2S,4S)-4-fluoro-2-(methoxycarbonyl)pyrrolidine hydrochloride(2S,4S)-Methymethyl (4s)-4-fluoro-l-prolinate hydrochlorideWLZ4242Methyl (2S,4S)-4-fluoropyrrolidine-2-carboxylate hydrochlorideAKOS015950323

データベース識別子

CAS: 58281-79-1
PubChem CID: 56777038
EC Number: 830-432-2

物性

構造計算による物性

極性表面積: 38.3 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 140

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P280, P301+P317, 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)

Aggregated GHS information provided per 2 reports by companies from 2 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. 5 (100%)

安全データ

hs_code: 2933998090
risk_code: 43
safety_code: 36/37

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化合物ノート

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