Basic information
- CAS
119584-81-5- Standard SMILES
CCOc1cccc2nc(N)nc(N)c12- InChIKey
LRWVBCREDYTZPL-UHFFFAOYSA-N- Molecular formula
- C10H12N4O
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.10111102
Names & identifiers
- Preferred name
- 2,4-Quinazolinediamine, 5-ethoxy-
- IUPAC
- 5-ethoxyquinazoline-2,4-diamine
- English name
- 2,4-Quinazolinediamine,5-ethoxy-(9CI)
- Molecular formula
- C10H12N4O
- Molecular weight
- 204.23
Names & synonyms
2,4-Quinazolinediamine, 5-ethoxy-119584-81-55-Ethoxy-2,4-quinazolinediamineBRN 3547878DTXSID50152508RefChem:246954DTXCID30749995-ethoxyquinazoline-2,4-diaminePY 3652,4-Quinazolinediamine,5-ethoxy-(9CI)CHEMBL343382SCHEMBL8294968
Show more names
2,4-Diamino-5-ethoxyquinazolineDB-292233
Database identifiers
- CAS
119584-81-5- PubChem CID
- 461900
- DTXSID
DTXSID50152508- ChEMBL
CHEMBL343382- Nikkaji
- J272.199F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 214 · 214-216 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 482.6 · 482.6±53.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 7.95 · 7.95±0.30(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…