피페라진,1,2,6-트리메틸-,(2R,6S)-rel-(9CI)

(2R,6S)-1,2,6-Trimethylpiperazine

HCID 30720221

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 147539-61-5
표준 SMILES: C[C@@H]1CNC[C@H](C)N1C
InChIKey: QHVYJSBQXIIROJ-KNVOCYPGSA-N
분자식: C7H16N2
평균 분자량: 128.22 g/mol

이름 및 식별자

우선 이름: (2R,6S)-1,2,6-Trimethylpiperazine
IUPAC: (2S,6R)-1,2,6-trimethylpiperazine
현지명: 피페라진,1,2,6-트리메틸-,(2R,6S)-rel-(9CI)
영어명: Piperazine, 1,2,6-trimethyl-, (2R,6S)-rel- (9CI)
분자식: C7H16N2
분자량: 128.22

이름 및 동의어

147539-61-5(2R,6S)-1,2,6-TRIMETHYLPIPERAZINERefChem:397677837-958-1cis-1,2,6-trimethylpiperazine(2r,6s)-rel-1,2,6-trimethylpiperazinePiperazine, 1,2,6-trimethyl-, (2R,6S)-rel-MFCD19217030(2s,6r)-1,2,6-trimethylpiperazinePiperazine, 1,2,6-trimethyl-, (2R,6S)-rel- (9CI)2387446-01-5SCHEMBL63773

이름 더 보기

피페라진,1,2,6-트리메틸-,(2R,6S)-rel-(9CI)1,2,6-TriMethyl piperazinerel-(2R,6S)-1,2,6-Trimethylpiperazine(3r,5s)-rel-1,2,6-trimethylpiperazinePiperazine,1,2,6-trimethyl-, (2R,6S)-rel-

cis-3,4,5-trimethylpiperazineSCHEMBL1887413cis-1,2,6-trimethyl piperazinecis-3,4,5-trimethyl-piperazineQHVYJSBQXIIROJ-KNVOCYPGSA-NXFA53961AKOS006351305PB38938

데이터베이스 식별자

CAS: 147539-61-5
PubChem CID: 30720221
EC Number: 837-958-1

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 82.9

물리화학적 성질

끓는 점: 154 · 154.0±8.0 °C(Predicted)
밀도: 0.835 · 0.835±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.48 · 9.48±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, 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.