Basic information
- CAS
89-09-8- Standard SMILES
CN(C)c1ccc(Cc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]- InChIKey
MQXGBQVYQQCHSM-UHFFFAOYSA-N- Molecular formula
- C17H20N4O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.14845513
Names & identifiers
- Preferred name
- 4,4'-methylenebis[N,N-dimethyl-2-nitroaniline]
- IUPAC
- 4-[[4-(dimethylamino)-3-nitrophenyl]methyl]-N,N-dimethyl-2-nitroaniline
- English name
- 4,4'-methylenebis[N,N-dimethyl-2-nitroaniline]
- Molecular formula
- C17H20N4O4
- Molecular weight
- 344.37
Names & synonyms
89-09-84,4'-methylenebis[N,N-dimethyl-2-nitroaniline]4,4'-Methylenebis(N,N-dimethyl-2-nitroaniline)4-[[4-(dimethylamino)-3-nitrophenyl]methyl]-N,N-dimethyl-2-nitroanilineEINECS 201-882-1379J7M8SXSDTXSID30237468MQXGBQVYQQCHSM-UHFFFAOYSA-NNS000393054,4'-Methylenebis[N,N-dimethyl-2-nitrobenzenamine]Benzenamine, 4,4'-methylenebis[N,N-dimethyl-2-nitro-4-(4-(dimethylamino)-3-nitrobenzyl)-N,N-dimethyl-2-nitrobenzenamine
Show more names
[4-[4-(dimethylamino)-3-nitro-benzyl]-2-nitro-phenyl]-dimethyl-amine4-[[4-(dimethylamino)-3-nitro-phenyl]methyl]-N,N-dimethyl-2-nitro-aniline
Database identifiers
- CAS
89-09-8- PubChem CID
- 66630
- DTXSID
DTXSID30237468- UNII
- 379J7M8SXS
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 123 °C · 123 °C(Solv: ethanol (64-17-5))
- Boiling point
- 526.3 · 526.3±50.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.30(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
Alfa Chemistry+1-5166625404 · [email protected]
常州宇博化工科技有限公司13961462977 15295086982 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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