Basic information
- CAS
886766-40-1- Standard SMILES
CC(C)(C)OC(=O)N1CCNCC12CCCC2- InChIKey
ZFRIOZGQSDKGRT-UHFFFAOYSA-N- Molecular formula
- C13H24N2O2
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.18377801
Names & identifiers
- Preferred name
- Tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate
- IUPAC
- tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate
- English name
- Tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate
- Molecular formula
- C13H24N2O2
- Molecular weight
- 240.34
Names & synonyms
886766-40-1TERT-BUTYL 6,9-DIAZASPIRO[4.5]DECANE-6-CARBOXYLATEtert-butyl 6,9-diazaspiro(4.5)decane-6-carboxylateRefChem:894284102-025-36,9-DIAZA-SPIRO[4.5]DECANE-6-CARBOXYLIC ACID TERT-BUTYL ESTER6,9-Diazaspiro[4.5]decane-6-carboxylic acid, 1,1-dimethylethyl esterMFCD08685936SCHEMBL10277023ZFRIOZGQSDKGRT-UHFFFAOYSA-N6-Boc-6,9-diazaspiro[4.5]decaneAB46151
Show more names
SY292568DB-160393CS-0030288G79631F601540TERT-BUTYL6,9-DIAZASPIRO[4.5]DECANE-6-CARBOXYLATE
Database identifiers
- CAS
886766-40-1- PubChem CID
- 68089093
- EC Number
- 102-025-3
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 337 · 337.0±17.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 10.09 · 10.09±0.20(Predicted)
- Appearance
- Colorless to light yellow Oil
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；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+P354+P338, P317, P319, P321, P330, P332+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Chemistry & industry
Applications
DescriptionTert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate is a key intermediate in the synthesis of inhibitors of the renal extra-medullary potassium channel (ROMK), also known as the Kir1.1 channel.
Suppliers21 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
上海智乾生物科技有限公司[email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
Nanjing discovery pharma Technology Co., Ltd+86-18651673534 · [email protected]
苏州伽镁医药科技有限公司0512-66727658 18115508618
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
南京迪斯卡瑞医药科技有限公司18651673534 18651673534 · [email protected]
上海黎枫医药科技有限公司021-13681628734 13681628734 · [email protected]
Related reactions
2 records
Compound notes
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