기본 정보
- CAS
236406-39-6- 표준 SMILES
CC(C)(C)OC(=O)N1CCC2(CCNC2)CC1- InChIKey
MGHFVXFMQGQAKJ-UHFFFAOYSA-N- 분자식
- C13H24N2O2
- 평균 분자량
- 240.34 g/mol
- 단동위원소 질량
- 240.18377801
이름 및 식별자
- 우선 이름
- tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylate
- IUPAC
- tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate
- 현지명
- 2,8-디아자-스피로[4.5]데칸-8-카르복실산tert-부틸에스테르
- 영어명
- 2,8-DIAZA-SPIRO[4.5]DECANE-8-CARBOXYLIC ACID TERT-BUTYL ESTER
- 분자식
- C13H24N2O2
- 분자량
- 240.34
이름 및 동의어
236406-39-6tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylateDTXSID20632524tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylateRefChem:383143DTXCID90583276823-225-38-Boc-2,8-Diazaspiro[4.5]decaneMFCD096080788-Boc-2,8-diaza-spiro[4.5]decane2,8-Diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl ester
이름 더 보기
2,8-디아자-스피로[4.5]데칸-8-카르복실산tert-부틸에스테르2,8-Diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester - D5994D671588-Boc-2,8-diaza-spiro[4.5...8-N-Boc-2,8-diaza-spiro[4.5]decanetert-Butyl 2,8-diazaspiro[4.5]decan-8-carboxylatetert-Butyl 3,8-diazaspiro[4.5]decane-8-carboxylate2,8-Diazaspiro[4,5]decane-8-carboxylate tert-butyl ester1,1-Dimethylethyl 2,8-diazaspiro[4.5]decane-8-carboxylate
2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester2,8-Diazaspiro[4.5]decane-8-carboxylicacid, 1,1-dimethylethyl esterSCHEMBL484585CS-WAA0067orb3176641MGHFVXFMQGQAKJ-UHFFFAOYSA-NAKOS005146290CS-W009182
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 41.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 288
물리화학적 성질
- 끓는 점
- 337 · 337.0±35.0 °C(Predicted)
- 밀도
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 산도 계수 (pKa)
- 11.04 · 11.04±0.20(Predicted)
- InChI
- InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13/h14H,4-10H2,1-3H3
- InChIKey
- MGHFVXFMQGQAKJ-UHFFFAOYSA-N
- SMILES
- C1C2(CCN(C(OC(C)(C)C)=O)CC2)CCN1
화학적 성질
The molecular formula of 2,8-DIAZA-SPIRO[4.5]DECANE-8-CARBOXYLIC ACID TERT-BUTYL ESTER is C₁₃H₂₄N₂O₂, with a molecular weight of 240.34 g/mol. It is a solid powder at room temperature, with a density of approximately 1.073 g/cm³, a boiling point of around 337.0°C, and a flash point of about 157.6°C. It is generally recommended to store it sealed, protected from light, at 2-8°C to maintain its stability.
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]；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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 29339900
- risk_code
- 36/37/38
- safety_code
- 26-36
화학 및 산업
공급사100 곳
上海策嵘生物科技有限公司[email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京道尔顿化学技术有限公司18913360273; 15051832550 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
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