2-(3,4-Dimethoxyphenyl)pyrrolidine
Basic information
- CAS
367281-00-3- Standard SMILES
COc1ccc(C2CCCN2)cc1OC- InChIKey
QDPNOFVFBQDGHG-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)pyrrolidine
- IUPAC
- 2-(3,4-dimethoxyphenyl)pyrrolidine
- English name
- 2-(3,4-Dimethoxy-phenyl)-pyrrolidine
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
2-(3,4-dimethoxyphenyl)pyrrolidine367281-00-3DTXSID20393183RefChem:84170DTXCID10344043831-181-1MFCD02663423(S)-2-(3,4-DIMETHOXYPHENYL)PYRROLIDINE1217818-57-91,2-dimethoxy-4-pyrrolidin-2-ylbenzeneSCHEMBL3141659SPA28100
Show more names
2-(3,4-Dimethoxy-phenyl)-pyrrolidinePyrrolidine, 2-(3,4-dimethoxyphenyl)-2-(3,4-Dimethoxyphenyl)pyrrolidine HCl
SBB018083AKOS000200910AKOS016050439AC-5480SY167808VS-07117ST50401735EN300-26875
Database identifiers
- CAS
367281-00-3- PubChem CID
- 3510885
- DTXSID
DTXSID20393183- EC Number
- 831-181-1
- Nikkaji
- J1.601.727B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 308 ℃ · 308℃
- Density
- 1.052 · 1.052
- Flash point
- 125 ℃ · 125℃
- storage temp.
- 2 · 2-8°C
- pka
- 9.95 · 9.95±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2-(3,4-Dimethoxyphenyl)pyrrolidine
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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