기본 정보
- CAS
1216621-00-9- 표준 SMILES
CCn1c(=O)n(C2=C(CO)CN(CC3CCCCCCC3)CC2)c2ccccc21.Cl- InChIKey
YEVMLMQAMCKVSC-UHFFFAOYSA-N- 분자식
- C24H36ClN3O2
- 평균 분자량
- 434 g/mol
- 단동위원소 질량
- 433.2496051
이름 및 식별자
- 우선 이름
- 1-(1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl)-3-ethyl-1,3-dihydro-2Hbenimidazol-2-one
- IUPAC
- 1-[1-(cyclooctylmethyl)-5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-3-ethylbenzimidazol-2-one;hydrochloride
- 영어명
- 1-(1-(cyclooctylMethyl)-5-(hydroxyMethyl)-1,2,3,6-tetrahydropyridin-4-yl)-3-ethyl-1H-benzo[d]iMidazol-2(3H)-one hydrochloride
- 분자식
- C24H36ClN3O2
- 분자량
- 434.02
이름 및 동의어
1216621-00-9873567-76-11-[1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl]-3-ethyl-1,3-dihydro-2Hbenzimidazol-2-one hydrochloride1-(1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl)-3-ethyl-1,3-dihydro-2Hbenimidazol-2-one1-(1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl)-3-ethyl-1,3-dihydro-2Hbenzimidazol-2-one hydrochloride1-[1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl]-3-ethyl-1,3-dihydro-2Hbenimidazol-2-oneRefChem:419577684-995-2686-030-0Trap 101Trap-101 hydrochloride1-(1-(Cyclooctylmethyl)-5-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-4-yl)-3-ethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride
이름 더 보기
Trap-101 hydrochloride >=98% (HPLC), powderTrap 101 hydrochloride,Trap101 hydrochloride1-[1-(cyclooctylmethyl)-5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-3-ethylbenzimidazol-2-one:hydrochloride
1-[1-(CYCLOOCTYLMETHYL)-1,2,3,6-TETRAHYDRO-5-(HYDROXYMETHYL)-4-PYRIDINYL]-3-ETHYL-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE HYDROCHLORIDETrap 101 (hydrochloride)Trap-101 (hydrochloride)1-[1-(cyclooctylmethyl)-5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-3-ethylbenzimidazol-2-one;hydrochlorideorb1703963RYB62100HY-11052AAKOS016004853
물성
구조 계산 물성
- 극성 표면적
- 47 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 597
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: ≥10mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
유해성 정보
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
화학 및 산업
공급사4 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
EMMX Biotechnology LLC888-539-0666 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
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