4,4-ジフルオロ-L-プロリンアミド塩酸塩

4,4-Difluoro-L-prolinamide hydrochloride

HCID 45158909

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 426844-51-1
標準SMILES: Cl.NC(=O)[C@@H]1CC(F)(F)CN1
InChIKey: RRQDQYAEZGKHOB-DFWYDOINSA-N
分子式: C5H9ClF2N2O
平均分子量: 186.59 g/mol
単同位体質量: 186.0371469

名称と識別子

優先名称: 4,4-Difluoro-L-prolinamide hydrochloride
IUPAC: (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
現地名: 4,4-ジフルオロ-L-プロリンアミド塩酸塩
英語名: 4,4-DIFLUORO-L-PROLINAMIDE HYDROCHLORIDE
分子式: C5H9ClF2N2O
分子量: 186.59

名称と別名

4,4-Difluoro-L-prolinamide hydrochlorideRefChem:5072892-Pyrrolidinecarboxamide, 4,4-difluoro-, hydrochloride (1:1), (2S)-670-268-7426844-51-1(S)-4,4-Difluoropyrrolidine-2-carboxamide hydrochlorideMFCD06797014(2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride4,4-Difluoro-l-prolinamide HClC5H9ClF2N2O(2S)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE4,4-DIFLUORO-L-PROLINAMIDE, HCL

名称をさらに表示

4,4-ジフルオロ-L-プロリンアミド塩酸塩4,4-ジフルオロ-L-プロリンアミド塩酸塩(2S)-4,4-difluoropyrrolidine-2-carboxamide4,4-difluoro-l-prolineaminoamidehydrochloride(S)-4,4-difluoropyrrolidine-2-carboxamide HCl(2S)-4,4-difluoro-2-pyrrolidinecarboxamide, HCl(2S)-4,4-difluoro-L-proline amide hydrochloride-4,4-Difluoropyrrolidine-2-carboxamide hydrochloride

DTXSID70669800AKOS016844203(S)-4,4-Difluoropyrolidine-2-carboxamide hydrochlorideCS-00428484,4-Difluoro-L-prolinamide--hydrogen chloride (1/1)(2s)-4,4-difluoro-2-pyrrolidinecarboxamide hydrochloride(2S)-2-Aminocarbonyl-4,4-difluoropyrrolidine Hydrochloride; (2S)-4,4-Difluoro-2-pyrrolidinecarboxamide Hydrochloride; (S)-4,4-Difluoropyrrolidine-2-carboxamide Hydrochloride;SCHEMBL1347345

データベース識別子

CAS: 426844-51-1
PubChem CID: 45158909
DTXSID: DTXSID70669800
EC Number: 670-268-7

物性

構造計算による物性

極性表面積: 55.1 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 222 °C · 222°C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
色: ペールグレーからライトグレー
InChI: InChI=1/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/s3
InChIKey: RRQDQYAEZGKHOB-OQFXAWDINA-N
SMILES: C1[C@@H](C(N)=O)NCC1(F)F.Cl |&1:1,r|

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 45 reports by companies from 4 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.