Basic information
- CAS
99584-26-6- Standard SMILES
Nc1ccc2c(N)ncnc2c1- InChIKey
TUNAEQJUVKPZRK-UHFFFAOYSA-N- Molecular formula
- C8H8N4
- Average molar mass
- 160.18 g/mol
- Monoisotopic mass
- 160.07489627
Names & identifiers
- Preferred name
- 4,7-Quinazolinediamine
- IUPAC
- quinazoline-4,7-diamine
- English name
- 4,7-Quinazolinediamine
- Molecular formula
- C8H8N4
- Molecular weight
- 160.18
Names & synonyms
4,7-Quinazolinediaminequinazoline-4,7-diamine99584-26-6SCHEMBL6096033SCHEMBL6161771SCHEMBL29663392DTXSID00620489AKOS014320779DB-082897quinazoline-4,7-diyldiamine
Database identifiers
- CAS
99584-26-6- PubChem CID
- 21942012
- DTXSID
DTXSID00620489
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 253 · 253-254 °C
- Boiling point
- 423.8 · 423.8±30.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- pka
- 6.99 · 6.99±0.70(Predicted)
Chemistry & industry
Suppliers1 total
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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