(S)-ピペリジン-2-カルボン酸メチル塩酸塩

methyl (2S)-piperidine-2-carboxylate hydrochloride

HCID 13246232CAS 18650-39-0

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)[C@@H]1CCCCN1.Cl
InChIKey: APCHKWZTSCBBJX-RGMNGODLSA-N
分子式: C7H14ClNO2
平均分子量: 179.64 g/mol
単同位体質量: 179.07130637

名称と識別子

優先名称: methyl (2S)-piperidine-2-carboxylate hydrochloride
IUPAC: methyl (2S)-piperidine-2-carboxylate;hydrochloride
現地名: (S)-ピペリジン-2-カルボン酸メチル塩酸塩
英語名: H-HomoPro-OMe HCl
分子式: C7H13NO2.ClH
分子量: 179.64

名称と別名

methyl (2S)-piperidine-2-carboxylate hydrochlorideRefChem:812193845-078-418650-39-0Methyl (S)-piperidine-2-carboxylate hydrochloride(S)-Methyl piperidine-2-carboxylate hydrochlorideMFCD00672366H-homoPro-OMe.HClmethyl (2S)-piperidine-2-carboxylate;hydrochloride(S)-PIPERIDINE-2-CARBOXYLIC ACID METHYL ESTER HCL(S)-PIPERIDINE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDEDTXSID70531755

名称をさらに表示

(S)-ピペリジン-2-カルボン酸メチル塩酸塩H-HOMOPRO-OME塩酸塩L-PIP-OMEH-HOPRO-OME HCLH-PIC(2)-OME HCLL-HOMOPRO-OME-HCLH-HomoPro-OMe HClHOMOPROLINE-OME HCLL-PIPECOLIC ACID-OME HCLHomoproline-OMe HydrochlorideL-HOMO-PROLINE METHYL ESTER HCL

AKOS015949473H-D-Homopro-OMe . HClMethyl (2S)-piperidine-2-carboxylate--hydrogen chloride (1/1)H-Homopro-OMe . HClA880646SCHEMBL132158Methyl (2S)-2-piperidinecarboxylate hydrochloride (1:1)2-Piperidinecarboxylic acid, methyl ester, hydrochloride, (2S)-

データベース識別子

CAS: 18650-39-0
PubChem CID: 13246232
DTXSID: DTXSID70531755
EC Number: 845-078-4

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: 2
重原子数: 11
形式電荷: 0
複雑度: 125

物理化学的性質

融点: 176 · 176-177℃
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: powder
色: White to off-white

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)

Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2933399990

化学と産業

応用分野 · 1 件

使用Methyl (2S)-Piperidine-2-carboxylate Hydrochloride can be useful in the preparation of Thyrotropin-releasing hormone (TRH) analogs, preparation of (arylsulfonyl)(amidino)phenylalanine piperidinamides as matriptase inhibitors, stereoselective synthesis of protected peptides containing anti β-hydroxy tyrosine, preparation of analogs of endogenous neuropeptide cycloprolylglycine, and preparation of promysalin analogs. It can also be useful in the preparation of molecular switches within ADX-47273 mGlu5 PAM scaffold that modulate modes of pharmacology to afford mGlu5 modulators.