4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole
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기본 정보
- CAS
1282554-35-1- 표준 SMILES
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2[nH]1- InChIKey
ILXRSCZVHSZGCS-UHFFFAOYSA-N- 분자식
- C19H20N4
- 평균 분자량
- 304.4 g/mol
- 단동위원소 질량
- 304.16879664
이름 및 식별자
- 우선 이름
- 4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole
- IUPAC
- 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazole
- 영어명
- 2-n-Propyl-4-methyl-6-(1-methylbenzimidazole-2-yl)benzimidazole
- 분자식
- C19H20N4
- 분자량
- 304.39
이름 및 동의어
152628-02-91,7'-DIMETHYL-2'-PROPYL-1H,1'H-2,5'-BIBENZO[D]IMIDAZOLE4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole6LS25C273E2-PROPYL-4-METHYL-6-(1-METHYLBENZIMIDAZOL-2-YL)BENZIMIDAZOLEDTXSID20165089TELMISARTAN IMPURITY A [EP IMPURITY]TELMISARTAN IMPURITY A (EP IMPURITY)1,7'-dimethyl-2'-propyl-1H,1'H-2,5'-bibenzo(d)imidazoleRefChem:525373DTXCID9087580440-240-7
이름 더 보기
2-PROPYL-4-METHYL-6-(1-METHYLBENZIMIDAZOLE-2-YL)BENZIMIDAZOLETelmisartan RC-ABis-BenzoimidazoleTelMisartan IMpurity ADi-imidazole candesartanTelmisartan Impurity 2
604-866-62-n-Propyl-4-methyl-6-(1-methylbenzimidazole-2-yl)benzimidazoleTelmisartan EP Impurity AMFCD038408571,7'-Dimethyl-2'-propyl-2,5'-bibenzimidazole2,5'-BI-1H-BENZIMIDAZOLE, 1,7'-DIMETHYL-2'-PROPYL-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazole2-n-Propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-benzimidazole
데이터베이스 식별자
- CAS
1282554-35-1、152628-02-9- PubChem CID
- 9796488
- DTXSID
DTXSID20165089- UNII
- 6LS25C273E
- EC Number
- 440-240-7、604-866-6
- Nikkaji
- J2.826.563H
물성
구조 계산 물성보충 중
- XLogP
- 4.2
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 414
물리화학적 성질
- 녹는점
- 130 · 130-135 °C(Solv: tetrahydrofuran (109-99-9))
- 끓는 점
- 584.8 · 584.8±52.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 증기압
- 0 · 0-0Pa at 20-25℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 11.86 · 11.86±0.30(Predicted)
- 색상
- White to Light yellow to Light orange
- InChI
- InChI=1S/C19H20N4/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)
- InChIKey
- ILXRSCZVHSZGCS-UHFFFAOYSA-N
- SMILES
- C1(C2=CC(C)=C3NC(CCC)=NC3=C2)N(C)C2=CC=CC=C2N=1
- LogP
- 3.49 at · 3.49 at 20℃ and pH6
화학적 성질
Grey Powder
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 33.3% (2 of 6) of reports.
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
유해성 정보
Regulatory Information
Status: Active Update: 25-10-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/1838
Status: Active Update: 09-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16774
Hazard Classes and Categories
Skin Irrit. 2 (16.7%)
STOT RE 2 (33.3%)
안전 데이터
- HS 번호
- 2933.99.8290
화학 및 산업
응용 분야
용도An impurity found in Telmisartan (T017000).
상·하류 제품 정보
상류 원료
관련 반응
3건
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