N1-Ethyl-4-nitro-1,2-phenylenediamine
Basic information
- CAS
66668-41-5- Standard SMILES
CCNc1ccc([N+](=O)[O-])cc1N- InChIKey
PNDJSMFFLOHKTJ-UHFFFAOYSA-N- Molecular formula
- C8H11N3O2
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.0851266
Names & identifiers
- Preferred name
- N1-Ethyl-4-nitro-1,2-phenylenediamine
- IUPAC
- 1-N-ethyl-4-nitrobenzene-1,2-diamine
- English name
- 1-N-ethyl-4-nitrobenzene-1,2-diaMine
- Molecular formula
- C8H11N3O2
- Molecular weight
- 181.19
Names & synonyms
N1-ETHYL-4-NITRO-1,2-PHENYLENEDIAMINERefChem:831451613-972-1N1-Ethyl-4-nitrobenzene-1,2-diamine66668-41-51-N-ethyl-4-nitrobenzene-1,2-diamineN-ethyl-4-nitro-benzene-1,2-diamineMFCD00156345N~1~-ethyl-4-nitrobenzene-1,2-diamine(2-amino-4-nitrophenyl)ethylaminen1-ethyl-4-nitro-benzene-1,2-diamine2-ethylamino-5-nitroaniline
Show more names
N1-ethyl-4-nitro-1,2-benzenediamine1,2-Benzenediamine, N1-ethyl-4-nitro-
SCHEMBL4978573DTXSID90404891PNDJSMFFLOHKTJ-UHFFFAOYSA-NSBB042661STL191121AKOS000271083DA-41749CS-0315700
Database identifiers
- CAS
66668-41-5- PubChem CID
- 4613404
- DTXSID
DTXSID90404891- EC Number
- 613-972-1
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H319
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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