기본 정보
- CAS
530115-96-9- 표준 SMILES
CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
VREJUXWEWOVHHU-UHFFFAOYSA-N- 분자식
- C12H20N2O2
- 평균 분자량
- 224.3 g/mol
- 단동위원소 질량
- 224.15247789
이름 및 식별자
- 우선 이름
- tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
- 현지명
- 1-BOC-4-시아노-4-메틸-피페리딘
- 영어명
- tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate
- 분자식
- C12H20N2O2
- 분자량
- 224.3
이름 및 동의어
530115-96-9tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate1-BOC-4-CYANO-4-METHYL-PIPERIDINE1-Boc-4-cyano-4-methylpiperidineMFCD118497894-Cyano-4-methyl-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-cyano-4-methyl-, 1,1-dimethylethyl estertert-Butyl4-cyano-4-methylpiperidine-1-carboxylateSCHEMBL1118226tert-Butyl 4-cyano-4-methyl-piperidine-1-carboxylateDTXSID00676502VREJUXWEWOVHHU-UHFFFAOYSA-N
이름 더 보기
1-BOC-4-시아노-4-메틸-피페리딘Ert-Butyl 4-Cyano-4-Methylpiperidine-1-Carboxylate4-Cyano-4-methylpiperidine-1-carboxylic acid tert-butyl este...
1-Boc-4-cyano-4-Methylpip...ALBB-038068FWA11596AKOS015841233PB25438AS-34635SY023920DB-371980
데이터베이스 식별자
- CAS
530115-96-9- PubChem CID
- 46835621
- DTXSID
DTXSID00676502- EC Number
- 139-914-0
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 53.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 314
물리화학적 성질
- 끓는 점
- 327.9 · 327.9±35.0 °C(Predicted)
- 밀도
- 1.05 · 1.05±0.1 g/cm3 (20 ºC 760 Torr)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- white to brown solid
- 산도 계수 (pKa)
- -3.05 · -3.05±0.40(Predicted)
- InChI
- InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-8H2,1-4H3
- InChIKey
- VREJUXWEWOVHHU-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C#N)(C)CC1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
안전 데이터
- ridadr
- UN2811
- HS 번호
- 2933399990
화학 및 산업
공급사69 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海平创化工科技有限公司15001988657 15802146997
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