Basic information
- CAS
101250-96-8- Standard SMILES
NC(N)=NC(N)=Nc1ccc(Br)cc1- InChIKey
GVZIHTVADXTMQR-UHFFFAOYSA-N- Molecular formula
- C8H10BrN5
- Average molar mass
- 256.1 g/mol
- Monoisotopic mass
- 255.01196
Names & identifiers
- Preferred name
- N-(4-bromophenyl)imidodicarbonimidic diamide
- IUPAC
- 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
- English name
- N-(4-Bromophenyl)imidodicarbonimidic diamide
- Molecular formula
- C8H10BrN5
- Molecular weight
- 256.1
Names & synonyms
101250-96-8N-(4-bromophenyl)imidodicarbonimidic diamideImidodicarbonimidic diamide, N-(4-bromophenyl)-2-(4-bromophenyl)-1-(diaminomethylidene)guanidineN-(4-bromophenyl)-1-carbamimidamidomethanimidamideMFCD00464642ACMC-20m4al1-(p-Bromophenyl)biguanide54KKJ6Y3WZCBDivE_002585SCHEMBL4100270Biguanide, 1-(p-bromophenyl)-
Show more names
2-(4-bromophenyl)-1-(diaminomethylene)guanidine
DTXSID90274879HMS1753B03ALBB-022024STK101235AKOS001010397NCGC00341959-01LS-06771N-(4-bromophenyl)imidodicarbonimidicdiamide
Database identifiers
- CAS
101250-96-8- PubChem CID
- 29665
- DTXSID
DTXSID90274879- UNII
- 54KKJ6Y3WZ
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 330 · 330.0±44.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 11.39 · 11.39±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
Fluorochem Ltd[email protected]
Interbioscreen Ltd.[email protected]
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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