기본 정보
- CAS
1282554-35-1- 표준 SMILES
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2[nH]1.O- InChIKey
SNCXGDVWYWJWRT-UHFFFAOYSA-N- 분자식
- C19H22N4O
- 평균 분자량
- 322.4 g/mol
- 단동위원소 질량
- 322.17936134
이름 및 식별자
- 우선 이름
- 4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole monohydrate
- IUPAC
- 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazole;hydrate
- 현지명
- 1,7'-디메틸-2'-프로필-2,5'-bi-1H-벤즈이미다졸일수화물
- 영어명
- 1,7′-Dimethyl-2′-propyl-2,5′-bi-1H-benzimidazole monohydrate
- 분자식
- C19H22N4O
- 분자량
- 322.41
이름 및 동의어
1282554-35-14-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole monohydrateUNII-31NMD7XVRG31NMD7XVRGRefChem:1987354-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazole;hydrateN-Des((4-(2-carboxyphenyl)phenyl)methyl) telmisartan monohydrate2,5'-Bi-1H-benzimidazole, 1,7'-dimethyl-2'-propyl-, hydrate (1:1)1,7'-Dimethyl-2'-propyl-2,5'-bi-1H-benzimidazole monohydrateDTXSID0013359071,7 inverted exclamation marka-Dimethyl-2 inverted exclamation marka-propyl-2,5 inverted exclamation marka-bi-1H-benzimidazole monohydrateQ27256069
이름 더 보기
1,7'-디메틸-2'-프로필-2,5'-bi-1H-벤즈이미다졸일수화물Telmisartan Impurity 1Telmisartan USP Related Compound A1,7′-Dimethyl-2′-propyl-1H,3′H-2,5′-bibenzo[d]imidazole1,7′-Dimethyl-2′-propyl-2,5′-bi-1H-benzimidazole monohydrate2-Propyl-4-methyl-6-(1-methyl-1H-benzoimidazole-2-yl)-1H-benzoimidazole4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazole,hydrate
물성
구조 계산 물성
- 극성 표면적
- 47.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 414
물리화학적 성질
- 밀도
- 1.24 at · 1.24 at 20℃
- 증기압
- 0.22 · 0.22-2.25Pa at 20-37.08℃
- 주요 응용
- 의약품(소분자)
- InChI
- 1S/C19H20N4.H2O/c1-4-7-17-20-15-11-13(10-12(2)18(15)22-17)19-21-14-8-5-6-9-16(14)23(19)3;/h5-6,8-11H,4,7H2,1-3H3,(H,20,22);1H2
- InChIKey
- SNCXGDVWYWJWRT-UHFFFAOYSA-N
- SMILES
- [n]1(c2c(nc1c3cc4nc([nH]c4c(c3)C)CCC)cccc2)C.O
- LogP
- 2.6 at · 2.6 at 27℃ and pH4
- 표면장력
- 71.1 mN/m · 71.1mN/m at 1g/L and 20℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H373 (33.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: 2-Propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazole (EC: 440-240-7)
Hazard Classes and CategoriesSTOT RE 2 (33.3%)
안전 데이터
- wgk
- 3
- HS 번호
- 2933997500
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사16 곳
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