CAS 53843-90-6 benzyl (2R)-pyrrolidine-2-carboxylate hydrochloride (HCID 22827650)

基本情報

CAS: 53843-90-6
標準SMILES: Cl.O=C(OCc1ccccc1)[C@H]1CCCN1
InChIKey: NEDMOHHWRPHBAL-RFVHGSKJSA-N
分子式: C12H16ClNO2
平均分子量: 241.71 g/mol

名称と識別子

優先名称: benzyl (2R)-pyrrolidine-2-carboxylate hydrochloride
IUPAC: benzyl (2R)-pyrrolidine-2-carboxylate;hydrochloride
現地名: D-プロリンベンジル塩酸塩
英語名: H-D-PRO-OBZL HCL
分子式: C12H15NO2.ClH
分子量: 241.71

名称と別名

53843-90-6Benzyl (2R)-Pyrrolidine-2-Carboxylate HydrochlorideRefChem:566512898-614-4H-D-Pro-OBzl.HClH-D-PRO-OBZL HCLD-Proline Benzyl Ester HydrochlorideH-D-Pro-OBzl HydrochlorideMFCD00153458D-Proline, phenylmethyl ester, hydrochloridebenzyl (2R)-pyrrolidine-2-carboxylate;hydrochlorideH-D-Pro-OBzl inverted exclamation mark currencyHCl

名称をさらに表示

D-プロリンベンジル塩酸塩D-プロリンベンジル・塩酸塩benzyl D-prolinateH-D-Pro-ObzlD-PROLINE-OBZL HCLH-D-PYRD(2)-OBZL HCLH-D-PRO-OBZL HCL USP/EP/BPD-ProlineBenzylEsterHydrochloride>benzyl (2R)-pyrrolidine-2-carboxylateD-PROLINE BENZYL ESTER HYDROCHLORIDE SALT

H-D-Pro-OBzl-HClAQD5TK9QKEH-D-Pro-OBzl . HClSCHEMBL1000787Benzyl D-prolinate hydrochlorideNEDMOHHWRPHBAL-RFVHGSKJSA-ND-proline benzylester hydrochlorideD-proline-benzyl-ester hydrochloride

データベース識別子

CAS: 53843-90-6
PubChem CID: 22827650
UNII: AQD5TK9QKE
EC Number: 898-614-4

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: 3
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 212

物理化学的性質

融点: 143 · 143-145°C
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: soluble in Methanol
外見: 個体
色: White to Almost white
CAS データベース: 53843 · 53843-90-6

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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)

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