1-Methylpiperidine-2-carboxylic acid

HCID 415939CAS 7730-87-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCCCC1C(=O)O
InChIKey: BPSLZWSRHTULGU-UHFFFAOYSA-N
분자식: C7H13NO2
평균 분자량: 143.18 g/mol
단동위원소 질량: 143.09462866

개요

Methylpipecolic acid is an alpha-amino acid.

이름 및 식별자

우선 이름: 1-Methylpiperidine-2-carboxylic acid
IUPAC: 1-methylpiperidine-2-carboxylic acid

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.5
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

안전 및 규제

GHS 분류

GHS Classification · 4건

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.