Basic information
- CAS
57174-48-8- Standard SMILES
c1ccc2c(c1)COC21CCNC1- InChIKey
CFCYRDQMSMOQMZ-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 3H-Spiro[2-benzofuran-1,3'-pyrrolidine]
- IUPAC
- spiro[1H-2-benzofuran-3,3'-pyrrolidine]
- English name
- 3H-SPIRO[2-BENZOFURAN-1,3''-PYRROLIDINE]
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
3H-SPIRO[2-BENZOFURAN-1,3'-PYRROLIDINE]DTXSID106214823H-spiro(2-benzofuran-1,3'-pyrrolidine)RefChem:505821DTXCID40572236836-138-057174-48-83H-spiro[isobenzofuran-1,3'-pyrrolidine]spiro[1H-2-benzofuran-3,3'-pyrrolidine]3H-SPIRO[2-BENZOFURAN-1,3''-PYRROLIDINE]MFCD11045516SCHEMBL350242
Show more names
Spiro[isobenzofuran-1(3H),3'-pyrrolidine]
CHEMBL4561517SCHEMBL31059145CFCYRDQMSMOQMZ-UHFFFAOYSA-NHCA17448AKOS0062818243H-spiro[2-benzofuran-1,3-pyrrolidine]3H-Spiro[isobenzofuran-1,3'-pyrrolidine3H-spiro[isobenzofuran-1,3,-pyrrolidine]
Database identifiers
- CAS
57174-48-8- PubChem CID
- 22012187
- DTXSID
DTXSID10621482- ChEMBL
CHEMBL4561517- EC Number
- 836-138-0
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 303.8 · 303.8±32.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 9.62 · 9.62±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers5 total
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
7 records
Compound notes
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