Polymethylene-bis(2-amino-1,3-diazepine)
Basic information
- CAS
85099-47-4- Standard SMILES
I.I.c1ccnc(=NCCN=c2nccccn2)nc1- InChIKey
ZTKKPNUHVCFRLR-UHFFFAOYSA-N- Molecular formula
- C12H14I2N6
- Average molar mass
- 496.09 g/mol
- Monoisotopic mass
- 495.93694
Overview
interacts with ionic channels of acetylcholine-activated postsynaptic membranes
Names & identifiers
- Preferred name
- Polymethylene-bis(2-amino-1,3-diazepine)
- IUPAC
- N-[2-(1,3-diazepin-2-ylideneamino)ethyl]-1,3-diazepin-2-imine;dihydroiodide
- English name
- polymethylene-bis(2-amino-1,3-diazepine)
- Molecular formula
- C12H14I2N6
- Molecular weight
- 496.0887
Names & synonyms
85099-47-41,2-Ethanediamine, N,N'-bis(2H-1,3-diazepin-2-ylidene)-, dihydriodideRefChem:175169DTXSID701005496N-[2-(1,3-diazepin-2-ylideneamino)ethyl]-1,3-diazepin-2-imine;dihydroiodideN,N'-(Ethane-1,2-diyl)di(2H-1,3-diazepin-2-imine)--hydrogen iodide (1/2)polymethylene-bis(2-amino-1,3-diazepine)
Database identifiers
- CAS
85099-47-4- PubChem CID
- 196295
- DTXSID
DTXSID701005496
Properties
Computed structural properties
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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