2-(2,4-Diaminophenoxy)ethanol

HCID 47933

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Basic information

CAS: 70643-19-5
Standard SMILES: Nc1ccc(OCCO)c(N)c1
InChIKey: WCPGNFONICRLCL-UHFFFAOYSA-N
Molecular formula: C8H12N2O2
Average molar mass: 168.19 g/mol
Monoisotopic mass: 168.08987763

Names & identifiers

Preferred name: 2-(2,4-Diaminophenoxy)ethanol
IUPAC: 2-(2,4-diaminophenoxy)ethanol
English name: 2,4-Diaminophenoxyethanol
Molecular formula: C8H12N2O2
Molecular weight: 168.19

Names & synonyms

2-(2,4-diaminophenoxy)ethanol2,4-Diaminophenoxyethanol70643-19-5Ethanol, 2-(2,4-diaminophenoxy)-2-(2',4'-Diaminophenoxy)ethanol8DI56TBP4BDTXSID0073619RefChem:83869DTXCID60467172-(2,4-diaminophenoxy)ethan-1-olMFCD001901372,4-diamino-1-(2-hydroxyethoxy)benzene

Show more names

2,4-diamino-1-(β-hydroxyethyloxy)benzene2-amino-2-(4-aminophenoxy)ethanol hydrochloride

UNII-8DI56TBP4B2,4-DIAMINOPHENOXYETHANOL HYDROCHLORIDESCHEMBL35916SCHEMBL27625841SCHEMBL293587572-(2',4'-diamino-phenoxy)ethanol66422-95-5 (di-hydrochloride)AKOS006274686

Database identifiers

CAS: 70643-19-5
PubChem CID: 47933
DTXSID: DTXSID0073619
UNII: 8DI56TBP4B
Nikkaji: J78.149E

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 81.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 132

Physicochemical properties

Boiling point: 400.2 · 400.2±30.0 °C(Predicted)
Density: 1.274 · 1.274±0.06 g/cm3(Predicted)
pka: 14.22 · 14.22±0.10(Predicted)
CAS DataBase Reference: 70643 · 70643-19-5(CAS DataBase Reference)
FDA UNII: 8 DI56TBP4B · 8DI56TBP4B
EPA Substance Registry System: 2 · Ethanol, 2-(2,4-diaminophenoxy)- (70643-19-5)