N-(3-nitrophenyl)imidodicarbonimidic diamide
Basic information
- CAS
10441-20-0- Standard SMILES
NC(N)=NC(N)=Nc1cccc([N+](=O)[O-])c1- InChIKey
WEOIHIYCKWSSBW-UHFFFAOYSA-N- Molecular formula
- C8H10N6O2
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.08652358
Names & identifiers
- Preferred name
- N-(3-nitrophenyl)imidodicarbonimidic diamide
- IUPAC
- 1-(diaminomethylidene)-2-(3-nitrophenyl)guanidine
- English name
- N-(3-Nitrophenyl)imidodicarbonimidic diamide
- Molecular formula
- C8H10N6O2
- Molecular weight
- 222.2
Names & synonyms
N-(3-nitrophenyl)imidodicarbonimidic diamide10441-20-0DTXSID00274688RefChem:361481DTXCID602034541-(diaminomethylidene)-2-(3-nitrophenyl)guanidine1-CARBAMIMIDAMIDO-N-(3-NITROPHENYL)METHANIMIDAMIDEimidodicarbonimidic diamide, n-(3-nitrophenyl)-MFCD00448708CHEMBL425383-Nitro-Phenyl biguanidem-Nitrophenylbiguanid
Show more names
1-(diaminomethylene)-2-(3-nitrophenyl)guanidine
ALBB-022026BDBM50053592STK135617AKOS002227762LS-06773PD129488N-(3-nitrophenyl)imidodicarbonimidicdiamideN-(3-nitrophenyl)triimidodicarbonic diamide
Database identifiers
- CAS
10441-20-0- PubChem CID
- 20882
- DTXSID
DTXSID00274688- ChEMBL
CHEMBL42538- Nikkaji
- J771.643E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 147 · 147-149 °C
- Boiling point
- 350.4 · 350.4±44.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 11.11 · 11.11±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…