Basic information
- CAS
500862-27-1- Standard SMILES
Nc1ccc2c(c1N)OCO2- InChIKey
WZXFIDXRXIOGTR-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-4,5-diamine
- IUPAC
- 1,3-benzodioxole-4,5-diamine
- English name
- 1,3-Benzodioxole-4,5-diamine
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
1,3-benzodioxole-4,5-diamine500862-27-1SCHEMBL11547575DTXSID20331343WZXFIDXRXIOGTR-UHFFFAOYSA-N3,4-methylenedioxy-o-phenylenediamine2H-1,3-BENZODIOXOLE-4,5-DIAMINEDB-259163
Database identifiers
- CAS
500862-27-1- PubChem CID
- 437572
- DTXSID
DTXSID20331343
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 100 · 100-101 °C
- Boiling point
- 331.7 · 331.7±42.0 °C(Predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- pka
- 4.34 · 4.34±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
1 records
Compound notes
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