1-메틸피페라진-2-온

1-Methylpiperazin-2-one

HCID 4399042

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59702-07-7
표준 SMILES: CN1CCNCC1=O
InChIKey: KJCIMSSFGUGTGA-UHFFFAOYSA-N
분자식: C5H10N2O
평균 분자량: 114.15 g/mol
단동위원소 질량: 114.07931295

이름 및 식별자

우선 이름: 1-Methylpiperazin-2-one
IUPAC: 1-methylpiperazin-2-one
현지명: 1-메틸피페라진-2-온
영어명: 1-Methylpiperazin-2-one
분자식: C5H10N2O
분자량: 114.15

이름 및 동의어

1-methylpiperazin-2-one59702-07-7DTXSID40402847RefChem:232082DTXCID20353702696-637-21-Methyl-piperazin-2-one1-Methyl-2-piperazinoneMFCD001025722-piperazinone, 1-methyl-, hydrochloridePiperazinone, 1-methyl-4-methyl-3-oxo-piperazine

이름 더 보기

1-메틸피페라진-2-온1-methylazine-2-one1-Methylpiperazin-2-on-Methyl-piperazin-2-one1-METHYL-PIPERAZINE-2-ONE2-Piperazinone, 1-methyl-1-Methylpiperazin-2-one ,97%1-Methylpiperazin-2-one ,98%1-methylpiperazin-2-one(SALTDATA: HCl)

methylpiperazinoneN-methyl piperazoneN-methylpiperazinone1-methylpiperazinoneN-methyl-piperazinonemethylpiperazin-2-one1-methyl-2-oxopiperazineSCHEMBL4871

데이터베이스 식별자

CAS: 59702-07-7
PubChem CID: 4399042
DTXSID: DTXSID40402847
EC Number: 696-637-2

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 103

물리화학적 성질

끓는 점: 242.1 · 242.1±33.0 °C(Predicted)
밀도: 1.037 · 1.037±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
산도 계수 (pKa): 7.42 · 7.42±0.20(Predicted)
InChI: InChI=1S/C5H10N2O/c1-7-3-2-6-4-5(7)8/h6H,2-4H2,1H3
InChIKey: KJCIMSSFGUGTGA-UHFFFAOYSA-N
SMILES: N1(C)CCNCC1=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933599590
risk_code: 43
hazard_code: Xi
safety_code: 36/37

화학 및 산업

공급사100 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

泰州葛林美克医药科技有限公司15366892466

上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

화합물 노트

불러오는 중…