cis-2,6-디메틸피페라진

rel-(2R,6S)-2,6-dimethylpiperazine

HCID 6950261

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21655-48-1
표준 SMILES: C[C@@H]1CNC[C@H](C)N1
InChIKey: IFNWESYYDINUHV-OLQVQODUSA-N
분자식: C6H14N2
평균 분자량: 114.19 g/mol
단동위원소 질량: 114.11569845

이름 및 식별자

우선 이름: rel-(2R,6S)-2,6-dimethylpiperazine
IUPAC: (2R,6S)-2,6-dimethylpiperazine
현지명: cis-2,6-디메틸피페라진
영어명: cis-2,6-Dimethylpiperazine
분자식: C6H14N2
분자량: 114.19

이름 및 동의어

21655-48-1rel-(2R,6S)-2,6-DimethylpiperazineRefChem:178782606-812-7cis-2,6-Dimethylpiperazine(2R,6S)-2,6-dimethylpiperazineCIS-2,6-DIMETHYL-PIPERAZINE(2S,6R)-2,6-dimethylpiperazine(cis)-2,6-dimethylpiperazineMFCD077724351013625-96-1Cis-2,6-dimethyl piperazine

이름 더 보기

cis-2,6-디메틸피페라진AILDE-003cis-2,6-DimethyL2,6DIMETHYLPIPRAZINE2,6-Dimethylpiperazicis-2,6-DiMethylpiperObifloxacin EP Impurity Ecis-3,5-DiMethylpiperazineOrbifloxacin EP Impurity E

(2S,6R)-rel-2,6-Dimethylpiperazine; cis-3,5-Dimethylpiperazine;Piperazine, 2,6-dimethyl-, (2R,6S)-rel-(2r,6s)-rel-2,6-dimethylpiperazineVZ66VRZ5VR2,6-Dimethylpiperazine #2,6-cis-dimethylpiperazinecis 2,6-dimethylpiperazinecis-2,6 dimethylpiperazine

데이터베이스 식별자

CAS: 21655-48-1
PubChem CID: 6950261
DTXSID: DTXSID301296263
UNII: VZ66VRZ5VR
EC Number: 606-812-7
Nikkaji: J837.758H

물성

구조 계산 물성

XLogP: 0
극성 표면적: 24.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 64.9

물리화학적 성질

녹는점: 108 · 108-111 °C(lit.)
끓는 점: 162 °C · 162 °C(lit.)
밀도: 0.914 · 0.9140 (estimate)
굴절률: 1.4628 · 1.4628 (estimate)
인화점: 113 °F · 113 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
수용성: Completely soluble in water
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: powder to crystal
산도 계수 (pKa): 9.38 · 9.38±0.60(Predicted)
색상: White to Orange to Green
InChI: InChI=1/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/t5-,6+
InChIKey: IFNWESYYDINUHV-OLQVQODUNA-N
SMILES: C[C@@H]1CNC[C@@H](N1)C |&1:1,5,r|

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, 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.