1-Methylpiperidine-2-carboxylic acid

HCID 415939CAS 7730-87-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CN1CCCCC1C(=O)O
InChIKey: BPSLZWSRHTULGU-UHFFFAOYSA-N
分子式: C7H13NO2
平均分子量: 143.18 g/mol
単同位体質量: 143.09462866

概要

Methylpipecolic acid is an alpha-amino acid.

名称と識別子

優先名称: 1-Methylpiperidine-2-carboxylic acid
IUPAC: 1-methylpiperidine-2-carboxylic acid

名称と別名

1-methylpiperidine-2-carboxylic acid7730-87-2DTXSID50328968RefChem:434657DTXCID502800721-methylpiperidin-1-ium-2-carboxylate819-095-21-Methyl-piperidine-2-carboxylic acid2-Piperidinecarboxylic acid, 1-methyl-MFCD08060082methylpipecolic acidN-Methyl DL-Pipecolic Acid

名称をさらに表示

1-Methyl-2-piperidinecarboxylic AcidN-methyl pipecolinic acidSTK693863SB13699SB13700SY123003CS-0038450n-methylpipecolic acid

データベース識別子

CAS: 7730-87-2
PubChem CID: 415939
DTXSID: DTXSID50328968
ChEMBL: CHEMBL265276
ChEBI: CHEBI:191185
EC Number: 819-095-2
Nikkaji: J3.522.988D

物性

構造計算による物性

XLogP: -1.5
極性表面積: 40.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 136

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.