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Basic information
- CAS
236406-39-6- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CCNC2)CC1- InChIKey
MGHFVXFMQGQAKJ-UHFFFAOYSA-N- Molecular formula
- C13H24N2O2
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.18377801
Names & identifiers
- Preferred name
- tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylate
- IUPAC
- tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate
- English name
- 2,8-DIAZA-SPIRO[4.5]DECANE-8-CARBOXYLIC ACID TERT-BUTYL ESTER
- Molecular formula
- C13H24N2O2
- Molecular weight
- 240.34
Names & synonyms
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
Show more names
2,8-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
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- 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
- 288
Physicochemical properties
- Boiling point
- 337 · 337.0±35.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 11.04 · 11.04±0.20(Predicted)
- Appearance
- White to off-white Solid
- 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
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 29339900 · 29339900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
Chemistry & industry
Applications
Usestert-Butyl 2,8-Diazaspiro[4.5]decane-8-carboxylate is used in preparation of substituted aminoquinolones as DGKα inhibitors for immune activation.
Suppliers100 total
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]
Related reactions
13 records
Compound notes
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