N1-(2-Ethoxyethyl)benzene-1,2-diamine
Basic information
- CAS
95893-89-3- Standard SMILES
CCOCCNc1ccccc1N- InChIKey
GWPMHCQNDHPVMQ-UHFFFAOYSA-N- Molecular formula
- C10H16N2O
- Average molar mass
- 180.25 g/mol
- Monoisotopic mass
- 180.12626314
Names & identifiers
- Preferred name
- N1-(2-Ethoxyethyl)benzene-1,2-diamine
- IUPAC
- 2-N-(2-ethoxyethyl)benzene-1,2-diamine
- English name
- N-(2-Ethoxy-ethyl)-benzene-1,2-diamine
- Molecular formula
- C10H16N2O
- Molecular weight
- 180.25
Names & synonyms
N1-(2-Ethoxyethyl)benzene-1,2-diamine95893-89-3DTXSID10545250N~1~-(2-Ethoxyethyl)benzene-1,2-diamineSCHEMBL104985721,2-Benzenediamine, N-(2-ethoxyethyl)-N-(2-ethoxyethyl)-o-phenylenediamineBilastine Impurity 65N-(β-ethoxyethyl)-o-phenylenediamineN-(2-Ethoxy-ethyl)-benzene-1,2-diamineN-(2-Ethoxyethyl)-1,2-phenylenediamine1-N-(2-ETHOXYETHYL)BENZENE-1,2-DIAMINE
Show more names
1,2-Benzenediamine, N1-(2-ethoxyethyl)-
Database identifiers
- CAS
95893-89-3- PubChem CID
- 13623318
- DTXSID
DTXSID10545250- Nikkaji
- J1.629.993F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 122 · 122-124 °C(Press: 0.85 Torr)
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.35 · 5.35±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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