Basic information
- CAS
4128-94-3- Standard SMILES
Nc1nc(N)nc(CCc2nc(N)nc(N)n2)n1- InChIKey
ZUHMEUFBTDOKPX-UHFFFAOYSA-N- Molecular formula
- C8H12N10
- Average molar mass
- 248.25 g/mol
- Monoisotopic mass
- 248.12464043
Names & identifiers
- Preferred name
- 6,6'-Ethylenebis(1,3,5-triazine-2,4-diamine)
- IUPAC
- 6-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
- English name
- 6,6'-ethylenebis(1,3,5-triazine-2,4-diamine)
- Molecular formula
- C8H12N10
- Molecular weight
- 248.25
Names & synonyms
4128-94-36,6'-Ethylenebis(1,3,5-triazine-2,4-diamine)6-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-1,3,5-triazine-2,4-diamineEINECS 223-941-0NSC101823NCIOpen2_007040SCHEMBL4448651DTXSID90194189ZUHMEUFBTDOKPX-UHFFFAOYSA-NNSC 101823NSC-101823DS-015694
Show more names
Succinoguanamine1,2-Bis(2,4-diamino-1,3,5-triazin-6-yl)ethane6,6'-(1,2-Ethanediyl)bis(1,3,5-triazine-2,4-diamine)1,3,5-Triazine-2,4-diamine, 6,6'-(1,2-ethanediyl)bis-
NS000309566,6'-(Ethane-1,2-diyl)di(1,3,5-triazine-2,4-diamine)
Database identifiers
- CAS
4128-94-3- PubChem CID
- 77779
- DTXSID
DTXSID90194189- EC Number
- 223-941-0
- Nikkaji
- J57.980G
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 335 °C · >335 °C
- Boiling point
- 811.1 · 811.1±75.0 °C(Predicted)
- Density
- 1.639 · 1.639±0.06 g/cm3(Predicted)
- pka
- 4.69 · 4.69±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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