Basic information
- CAS
4926-56-1- Standard SMILES
CN(C)CCNc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
BJQJYGBOWKQYTR-UHFFFAOYSA-N- Molecular formula
- C10H14ClN3O2
- Average molar mass
- 243.69 g/mol
- Monoisotopic mass
- 243.0774544
Names & identifiers
- Preferred name
- N'-(4-chloro-2-nitrophenyl)-N,N-dimethylethane-1,2-diamine
- IUPAC
- N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine
Names & synonyms
4926-56-1N'-(4-chloro-2-nitrophenyl)-N,N-dimethylethane-1,2-diamineN2-(4-Chloro-2-nitrophenyl)-N1,N1-dimethyl-1,2-ethanediamineSMR000207317CBMicro_009218Oprea1_695294MLS000584932CHEMBL1500490DTXSID201183873HMS2573J13SMSF0003682STK036296
Show more names
AKOS001724337ST4020855{2-[(4-chloro-2-nitrophenyl)amino]ethyl}dimethylamineN~2~-(4-Chloro-2-nitrophenyl)-N~1~,N~1~-dimethylethane-1,2-diamineN~2~-(4-chloro-2-nitrophenyl)-N~1~,N~1~-dimethylethane-1,2-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
4926-56-1- PubChem CID
- 2829597
- DTXSID
DTXSID201183873- ChEMBL
CHEMBL1500490
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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