기본 정보
- CAS
144657-65-8- 표준 SMILES
CN(C)Cc1cn(C(=O)OC(C)(C)C)c2ncccc12- InChIKey
ZNJZRJCULHGHCM-UHFFFAOYSA-N- 분자식
- C15H21N3O2
- 평균 분자량
- 275.35 g/mol
- 단동위원소 질량
- 275.16337691
이름 및 식별자
- 우선 이름
- 1-Boc-3-((Dimethylamino)methyl)-7-azaindole
- IUPAC
- tert-butyl 3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate
- 현지명
- 3-디메틸아미노메틸-피롤로[2,3-b]피리딘-1-카르복실산tert-부틸에스테르,1-tert-부톡시카르보닐-3-[(디메틸아미노)메틸]-7-아자인돌
- 영어명
- 3-Dimethylaminomethyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, 1-tert-Butoxycarbonyl-3-[(dimethylamino)methyl]-7-azaindole
- 분자식
- C15H21N3O2
- 분자량
- 275.35
이름 및 동의어
1-BOC-3-[(DIMETHYLAMINO)METHYL]-7-AZAINDOLE1-Boc-3-((Dimethylamino)methyl)-7-azaindoleRefChem:430070622-510-8144657-65-81H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-[(dimethylamino)methyl]-, 1,1-dimethylethyl estertert-Butyl 3-((dimethylamino)methyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylatetert-butyl 3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate3-Dimethylaminomethyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, 1-tert-Butoxycatert-Butyl 3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridine-1-carboxylateSCHEMBL3762275DTXSID20677990
이름 더 보기
3-디메틸아미노메틸-피롤로[2,3-b]피리딘-1-카르복실산tert-부틸에스테르,1-tert-부톡시카르보닐-3-[(디메틸아미노)메틸]-7-아자인돌1-Boc-3-((dimethylamino)methyl)-7-azain1-tert-Butoxycarbonyl-3-[(dimethylamino)methyl]-7-azaindole
ZNJZRJCULHGHCM-UHFFFAOYSA-N3-Dimethylaminomethyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl esterAS-758701-Boc-3-[(dimethylamino)methyl]-7-azaindole, 97%tert-Butyl3-((dimethylamino)methyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate3-Dimethylaminomethyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, 1-tert-Butoxycarbonyl-3-[(dimethylamino)methyl]-7-azaindole
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 47.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 352
물리화학적 성질
- 녹는점
- 97 · 97-101 °C
- 물리적 상태
- powder
- InChI
- 1S/C15H21N3O2/c1-15(2,3)20-14(19)18-10-11(9-17(4)5)12-7-6-8-16-13(12)18/h6-8,10H,9H2,1-5H3
- InChIKey
- ZNJZRJCULHGHCM-UHFFFAOYSA-N
- SMILES
- CN(C)Cc1cn(C(=O)OC(C)(C)C)c2ncccc12
화학적 성질
Beige powder
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]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- HS 번호
- 29339900
- risk_code
- 25-36/37/38
- hazard_code
- T
- safety_code
- 26-45
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
상·하류 제품 정보
상류 원료
공급사11 곳
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [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]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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