Basic information
- CAS
59504-34-6- Standard SMILES
Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1- InChIKey
VQVVPXREFQQTBV-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(4-methyl-2-nitrophenyl)-
- IUPAC
- 1-(4-methyl-2-nitrophenyl)pyrrolidine
- English name
- 1-(4-methyl-2-nitrophenyl)pyrrolidine
- Molecular formula
- C11H14N2O2
- Molecular weight
- 206.24106
Names & synonyms
1-(4-Methyl-2-nitrophenyl)pyrrolidinePyrrolidine, 1-(4-methyl-2-nitrophenyl)-EINECS 261-791-8DTXSID0069333RefChem:177914DTXCID8042636261-791-859504-34-635JYA47SUWVQVVPXREFQQTBV-UHFFFAOYSA-NDB-300677NS00034183
Database identifiers
- CAS
59504-34-6- PubChem CID
- 101070
- DTXSID
DTXSID0069333- UNII
- 35JYA47SUW
- EC Number
- 261-791-8
- Nikkaji
- J298.175K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- EPA Substance Registry System
- 1 · Pyrrolidine, 1-(4-methyl-2-nitrophenyl)- (59504-34-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrrolidine, 1-(4-methyl-2-nitrophenyl)-: INACTIVE
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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