Basic information
- CAS
189333-48-0- Standard SMILES
O=C1CC2(CCN(Cc3ccccc3)CC2)CC(=O)N1- InChIKey
MZOUQZZYZKEBKL-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.15247789
Names & identifiers
- Preferred name
- 9-Benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione
- IUPAC
- 9-benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione
- English name
- 9-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE-2,4-DIONE
- Molecular formula
- C16H20N2O2
- Molecular weight
- 272.34
Names & synonyms
9-Benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione189333-48-0MFCD110402453,9-Diazaspiro[5.5]undecane-2,4-dione, 9-(phenylmethyl)-9-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE-2,4-DIONENSC1160443,9-Diazaspiro[5.5]undecane-2,4-dione,9-(phenylmethyl)-3-benzyl-3,93-benzyl-3,9-diazaspiro[5.5]undecane-8,10-dioneSCHEMBL2524084DTXSID60297459MZOUQZZYZKEBKL-UHFFFAOYSA-N
Show more names
9-(phenylMethyl)-9-(phenylmethyl)- 3,9-Diazaspiro[5.5]undecane-2,4-dione9-benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione - [B29751]
AKOS012457821NSC-116044SB18113AS-52648SY097834CS-0000428P154489-Benzyl-3,9-diaza-spiro[5.5]undecane-2,4dione
Database identifiers
- CAS
189333-48-0- PubChem CID
- 272011
- DTXSID
DTXSID60297459
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 458.4 · 458.4±45.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 11.59 · 11.59±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Suppliers56 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽勇晟医药科技有限公司3307 18017383231 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海缔络科技有限公司19279824758 19526192903 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
苏州泽厚生物科技有限公司0512-68716880 19984816880 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Related reactions
2 records
Compound notes
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