Methyl DL-leucinate hydrochloride

HCID 410817CAS 18869-43-7

기본 정보

표준 SMILES: COC(=O)C(N)CC(C)C
InChIKey: QVDXUKJJGUSGLS-UHFFFAOYSA-N
분자식: C7H15NO2
평균 분자량: 145.2 g/mol
단동위원소 질량: 145.11027872

이름 및 식별자

우선 이름: Methyl DL-leucinate hydrochloride
IUPAC: methyl 2-amino-4-methylpentanoate

이름 및 동의어

Methyl DL-leucinate HClEINECS 228-681-1NSC 32110Methyl DL-leucinate hydrochlorideRefChem:817731228-681-1Methyl 2-amino-4-methylpentanoate18869-43-7methyl leucinateMFCD000445787-methylleucineO-Methyl-DL-leucine

이름 더 보기

SCHEMBL196338SCHEMBL5769221SCHEMBL8885139Methyl2-amino-4-methylpentanoateDTXSID70328501QVDXUKJJGUSGLS-UHFFFAOYSA-NALBB-031648methyl 2-amino-4-methyl-pentanoate

데이터베이스 식별자

CAS: 18869-43-7、6322-53-8
PubChem CID: 410817
DTXSID: DTXSID70328501
EC Number: 228-681-1
Nikkaji: J953.039H

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 112

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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.