1-メチルピペリジン-4-カルボン酸, 塩酸塩

4-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)

HCID 2760043

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 71235-92-2
標準SMILES: CN1CCC(C(=O)O)CC1.Cl
InChIKey: NLUDEWJJEMHIIL-UHFFFAOYSA-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: 4-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)
IUPAC: 1-methylpiperidine-4-carboxylic acid;hydrochloride
現地名: 1-メチルピペリジン-4-カルボン酸, 塩酸塩
英語名: 1-Methylpiperidine-4-carboxylic acid hydrochloride
分子式: C7H14ClNO2
分子量: 179.64

名称と別名

71985-80-3RefChem:5265104-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)1-methylpiperidine-4-carboxylic Acid Hydrochloride71235-92-21-methylpiperidine-4-carboxylic acid;hydrochlorideMFCD001902354-Piperidinecarboxylic acid, 1-methyl-, hydrochloride1-methylpiperidine-4-carboxylic acid hcl1-methyl-piperidine-4-carboxylic acid hydrochloride1-methyl-4-carboxypiperidine HCl1-METHYLPIPERIDINE-4-CARBOXYLICACIDHYDROCHLORIDE

名称をさらに表示

1-メチルピペリジン-4-カルボン酸, 塩酸塩BIO-FARMA BF002150TIMTEC-BB SBB003751RARECHEM AH CK 01391-methylisonipecotic acid4-CARBOXY-1-METHYL-PIPERIDINE HCL1-methyl-4-piperidinecarboxylic acid1-methyl-4-piperidin-1-iumcarboxylate1-methylpiperidin-1-ium-4-carboxylate4-piperidinecarboxylic acid, 1-methyl-Methylpiperidincarbonsure hydrochloride

1-methyl-4-piperidinecarboxylic acid hydrochloride1-methylpiperidin-1-ium-4-carboxylic acid;chlorideF2167-00661-methyl-piperidine-4-carboxylic acid hydrochloride salt1-methylpiperidine-4-carboxylic acid hydrochloride salt1-methylpiperidine-4-carboxylic acid, chloride1-Methyl-piperidine-4-carboxylic Acid HydrochloridA866336

データベース識別子

CAS: 71235-92-2、71985-80-3
PubChem CID: 2760043
DTXSID: DTXSID40991544
EC Number: 671-493-3、815-057-4

物性

構造計算による物性

極性表面積: 40.5 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: 1
重原子数: 11
形式電荷: 0
複雑度: 128

物理化学的性質

融点: 234 · 234-235°C

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]