Basic information
- CAS
42746-49-6- Standard SMILES
O=C1NCC(Cc2ccccc2)O1- InChIKey
DLBSGOZFSFUDKO-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
Names & identifiers
- Preferred name
- 2-Oxazolidinone, 5-(phenylmethyl)-
- IUPAC
- 5-benzyl-1,3-oxazolidin-2-one
- English name
- 2-Oxazolidinone, 5-(phenylmethyl)-
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
2-Oxazolidinone, 5-(phenylmethyl)-RefChem:10640065-benzyl-1,3-oxazolidin-2-one42746-49-65-benzyloxazolidin-2-one5-Benzyl-2-oxazolidone5-BENZYL-2-OXAZOLIDINONE5-(Phenylmethyl)-2-oxazolidinoneSCHEMBL1268961DTXSID90962668DLBSGOZFSFUDKO-UHFFFAOYSA-NSBA74649
Show more names
AKOS014316284(+/-)-5-Benzyl-1,3-oxazolidin-2-one5-Benzyl-4,5-dihydro-1,3-oxazol-2-olDB-427309EN300-130206Z1255419800
Database identifiers
- CAS
42746-49-6- PubChem CID
- 3039271
- DTXSID
DTXSID90962668- EC Number
- 875-719-3
- Nikkaji
- J2.266.854D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 108 · 108-109 °C
- Boiling point
- 398.8 · 398.8±9.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.78 · 12.78±0.40(Predicted)
- color
- White to Off-White
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
陕西科贝莱药物研发有限公司13119135307 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
艾吉析科技(上海)有限公司17721401538;17717235263 17721401538 · [email protected]
上海超岚化工科技中心(原上海巢莱)0-2022843681 15618226720 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
10 records
Compound notes
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