Basic information
- CAS
18711-25-6- Standard SMILES
CN1CCc2cc([N+](=O)[O-])ccc21- InChIKey
VNTWOKSFYDNPED-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422756
Names & identifiers
- Preferred name
- 1H-Indole, 2,3-dihydro-1-methyl-5-nitro-
- IUPAC
- 1-methyl-5-nitro-2,3-dihydroindole
- English name
- 1-Methyl-5-nitroindoline
- Molecular formula
- C9H10N2O2
- Molecular weight
- 178.19
Names & synonyms
18711-25-61H-Indole, 2,3-dihydro-1-methyl-5-nitro-2,3-Dihydro-1-methyl-5-nitro-1H-indoleDTXSID40171980RefChem:238709DTXCID20944711-methyl-5-nitroindoline1-Methyl-5-nitro-2,3-dihydro-1H-indole1-methyl-5-nitro-2,3-dihydroindoleMFCD074379931-methyl-5-nitro-indolineCHEMBL352199
Show more names
(3E)-3-[(2,4,6-trimethylphenyl)methylidene]-2-pyrrolidinone
SCHEMBL3885369VNTWOKSFYDNPED-UHFFFAOYSA-NAKOS006285618AB41975AS-58270DB-030660CS-0341009A12184
Database identifiers
- CAS
18711-25-6- PubChem CID
- 167738
- DTXSID
DTXSID40171980- ChEMBL
CHEMBL352199- Nikkaji
- J770.423B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 334.7 · 334.7±35.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.62 · 1.62±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers17 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
上海智乾生物科技有限公司[email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
16 records
Compound notes
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