(+/-)-1,4-DIAZABICYCLO[4.4.0]데칸

Octahydropyrrolo(1,2-a)pyrazine

HCID 558578CAS 5654-83-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C1CC2CNCCN2C1
InChIKey: FTTATHOUSOIFOQ-UHFFFAOYSA-N
분자식: C7H14N2
평균 분자량: 126.2 g/mol
단동위원소 질량: 126.11569846

이름 및 식별자

우선 이름: Octahydropyrrolo(1,2-a)pyrazine
IUPAC: 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
현지명: (+/-)-1,4-DIAZABICYCLO[4.4.0]데칸
영어명: (+/-)-1,4-Diazabicyclo[4.4.0]decane
분자식: C7H14N2
분자량: 126.2

이름 및 동의어

Octahydropyrrolo[1,2-a]pyrazine5654-83-1DTXSID10339772Octahydropyrrolo(1,2-a)pyrazineRefChem:167763DTXCID50290853639-325-31,4-Diazabicyclo[4.3.0]nonaneOctahydro-pyrrolo[1,2-a]pyrazine1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazinepyrrolo[1,2-a]pyrazine, octahydro-MFCD00082600

이름 더 보기

(+/-)-1,4-DIAZABICYCLO[4.4.0]데칸OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZINEAKOS AL-24Albb-009271OCTAHYDRO-PYRIDO[1,2-A ]PYRAZINE(+/-)-1,4-Diazabicyclo[4.4.0]decane1,4-diazabiscyclo[4.3.0]nonylalkaneOctahydro-pyrrolo[1,2-a]pyrazine 2HCl1,4-diazabicyclo[4.3.0]nonane - [D4394]octahydropyrrolo[1,2-a]pyrazine(SALTDATA: FREE)

octahydropyrrolo[1,2-a]piperazine1,4-diazabicyclo(1,4-diazabicyclo[octahydro-pyrrolo(1,2-a)pyrazine1,4-diazabicyclo(4.3.0)nonaneSCHEMBL44952SCHEMBL63706SCHEMBL95184

데이터베이스 식별자

CAS: 5654-83-1
PubChem CID: 558578
DTXSID: DTXSID10339772
EC Number: 639-325-3

물성

구조 계산 물성

XLogP: 0.2
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: 103

물리화학적 성질

끓는 점: 74 · 74-75 °C(Press: 10 Torr)
밀도: 0.9679 g/cm3 · 0.9679 g/cm3
저장 조건: Refrigerator, under inert atmosphere
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
산도 계수 (pKa): 9.98 · 9.98±0.20(Predicted)
물리적 상태: 기름
색상: 무색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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.