옥타하이드로-2H-피리도[1,2-a]피라진

(+-)-1,4-Diazabicyclo[4.4.0]decane

HCID 2876391

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4430-75-5
표준 SMILES: C1CCN2CCNCC2C1
InChIKey: ONHPOXROAPYCGT-UHFFFAOYSA-N
분자식: C8H16N2
평균 분자량: 140.23 g/mol
단동위원소 질량: 140.13134852

이름 및 식별자

우선 이름: (+-)-1,4-Diazabicyclo[4.4.0]decane
IUPAC: 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
현지명: 옥타하이드로-2H-피리도[1,2-a]피라진
영어명: Octahydro-2H-pyrido[1,2-a]pyrazine
분자식: C8H16N2
분자량: 140.23

이름 및 동의어

(+-)-1,4-Diazabicyclo(4.4.0)decane(+-)-1,4-Diazabicyclo[4.4.0]decaneRefChem:390809692-685-34430-75-5octahydro-1h-pyrido[1,2-a]pyrazineOctahydro-2H-pyrido[1,2-a]pyrazineOctahydro-pyrido[1,2-a]pyrazine1,4-diazabicyclo[4.4.0]decane2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine(+/-)-1,4-Diazabicyclo[4.4.0]decaneMFCD01098257

이름 더 보기

옥타하이드로-2H-피리도[1,2-a]피라진2-(4-fluorophenyl)-L-glycine1,4-Diazabicyclo[4.4.0]decane 97%2H-Pyrido[1,2-a]pyrazine, octahydro-(^+)-1,4-Diazabicyclo[4.4.0]decane,98+%(^+)-1,4-Diazabicyclo[4.4.0]decane, 98+%1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]pyrazin-5-ium

CHEMBL98511Octahydropyrido[1,2-a]pyrazineoctahydro-1H-pyrido[1,2-a]piperazineSCHEMBL65291SCHEMBL174054SCHEMBL338531SCHEMBL338532(+/-)-1,4-diazabicyclo[

데이터베이스 식별자

CAS: 4430-75-5
PubChem CID: 2876391
DTXSID: DTXSID10386908
ChEMBL: CHEMBL98511
EC Number: 692-685-3

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: 10
형식 전하: 0
복잡도: 114

물리화학적 성질

끓는 점: 68 · 68-72℃/3mm
밀도: 1.01 · 1.01±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 9.8 · 9.80±0.20(Predicted)
색상: 무색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 reports by companies from 2 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.