Basic information
- CAS
87200-62-2- Standard SMILES
Nc1cc(N2CCCC2)c(Cl)cc1[N+](=O)[O-]- InChIKey
LNMLENQCZLQTDO-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3O2
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0618043
Names & identifiers
- Preferred name
- 4-Chloro-2-nitro-5-(1-pyrrolidinyl)aniline
- IUPAC
- 4-chloro-2-nitro-5-pyrrolidin-1-ylaniline
- English name
- 4-Chloro-2-nitro-5-(1-pyrrolidinyl)aniline
- Molecular formula
- C10H12ClN3O2
- Molecular weight
- 241.67
Names & synonyms
87200-62-24-chloro-2-nitro-5-(1-pyrrolidinyl)aniline4-chloro-2-nitro-5-(pyrrolidin-1-yl)aniline4-chloro-2-nitro-5-pyrrolidin-1-ylanilineMFCD04125718MLS000720754SCHEMBL1192289CHEMBL1312884LNMLENQCZLQTDO-UHFFFAOYSA-NDTXSID701319772HMS2728K10AKOS000425498
Show more names
4-CHLORO-2-NITRO-5-(1-PYRROLIDINYL)PHENYLAMINEBenzenamine, 4-chloro-2-nitro-5-(1-pyrrolidinyl)-
SMR0003367444-chloro-2-nitro-5-pyrrolidin-1-yl-aniline4-chloro-2-nitro-5-pyrrolidin-1-yl-phenylamine5X-0261SR-01000307344SR-01000307344-1
Database identifiers
- CAS
87200-62-2- PubChem CID
- 3613709
- DTXSID
DTXSID701319772- ChEMBL
CHEMBL1312884
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
Solubility3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 452.5 · 452.5±45.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- 0.62 · 0.62±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
6 records
Compound notes
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