3,3-디메틸피페라진-2-원

2-Piperazinone, 3,3-dimethyl-

HCID 211157CAS 22476-74-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)NCCNC1=O
InChIKey: ZBFIRYWCOIYJDA-UHFFFAOYSA-N
분자식: C6H12N2O
평균 분자량: 128.17 g/mol
단동위원소 질량: 128.09496301

이름 및 식별자

우선 이름: 2-Piperazinone, 3,3-dimethyl-
IUPAC: 3,3-dimethylpiperazin-2-one
현지명: 3,3-디메틸피페라진-2-원
영어명: 3,3-DIMETHYLPIPERAZIN-2-ONE
분자식: C6H12N2O
분자량: 128.17

이름 및 동의어

3,3-dimethylpiperazin-2-one22476-74-03,3-Dimethyl-2-piperazinone2-Piperazinone, 3,3-dimethyl-BRN 0112353Dimethyl-3,3 oxo-2 piperazineDimethyl-3,3 oxo-2 piperazine [French]DTXSID80177002RefChem:478272DTXCID0099493807-425-83,3-Dimethyl-piperazin-2-one

이름 더 보기

3,3-디메틸피페라진-2-원3,3-dimethyl-2-azineone3,3-Dimethylpiperazin-2-on3,3-dimethylpiperazin-2-one(SALTDATA: FREE)

MFCD01701783F2182-0029Piperazinone, 3,3-dimethyl-3,3-dimethylpiperazine-2-one33-Dimethylpiperazin-2-oneSCHEMBL17727SCHEMBL1161491SCHEMBL2543453

데이터베이스 식별자

CAS: 22476-74-0
PubChem CID: 211157
DTXSID: DTXSID80177002
EC Number: 807-425-8

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 131

물리화학적 성질

녹는점: 134 °C · 134 °C
끓는 점: 275 · 275.0±33.0 °C(Predicted)
밀도: 0.96 · 0.960±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 15.55 · 15.55±0.40(Predicted)
InChI: InChI=1S/C6H12N2O/c1-6(2)5(9)7-3-4-8-6/h8H,3-4H2,1-2H3,(H,7,9)
InChIKey: ZBFIRYWCOIYJDA-UHFFFAOYSA-N
SMILES: N1CCNC(C)(C)C1=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.