Basic information
- CAS
147011-42-5- Standard SMILES
O=C1N(Cc2ccccc2)CC2(OCCO2)C12CC2- InChIKey
FMTJFDZWLMPYOK-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.1208434
Names & identifiers
- Preferred name
- 10-Benzyl-5,8-dioxa-10-azadispiro[2.0.44.33]undecan-11-one
- IUPAC
- 10-benzyl-5,8-dioxa-10-azadispiro[2.0.44.33]undecan-11-one
- English name
- 10-Benzyl-5,8-dioxa-10-azadispiro[2.0.44.33]undecan-11-one
- Molecular formula
- C15H17NO3
- Molecular weight
- 259.3
Names & synonyms
147011-42-510-Benzyl-5,8-dioxa-10-azadispiro[2.0.44.33]undecan-11-one5,8-Dioxa-10-azadispiro[2.0.4.3]undecan-11-one, 10-(phenylmethyl)-starbld0000781DTXSID701172805MFCD31706237AKOS037651064CS-15801CS-0045685D72425F6083655-benzyl-7,7-ethylenedioxy-4-oxo-5-azaspiro[2.4]heptane
Show more names
10-benzyl-5,8-dioxa-10-azadispiro[2.0.4?.3?]undecan-11-one10-(Phenylmethyl)-5,8-dioxa-10-azadispiro[2.0.4.3]undecan-11-one10-Benzyl-5,8-dioxa-10-azadispiro[2.0.4~4~.3~3~]undecan-11-one
Database identifiers
- CAS
147011-42-5- PubChem CID
- 85679656
- DTXSID
DTXSID701172805- Nikkaji
- J1.632.896K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 469.6 · 469.6±45.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -0.58 · -0.58±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
ChemExpress+86-021-58950125 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Hangzhou Huarong Pharm Co., Ltd.571-86758373 +8613588754946 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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