CAS 58566-44-2 N,N-Bis(2-hydroxyethyl)benzamide (HCID 94109)

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Basic information

CAS: 58566-44-2
Standard SMILES: O=C(c1ccccc1)N(CCO)CCO
InChIKey: LOTWRKOXHCMWDB-UHFFFAOYSA-N
Molecular formula: C11H15NO3
Average molar mass: 209.24 g/mol
Monoisotopic mass: 209.10519334

Names & identifiers

Preferred name: N,N-Bis(2-hydroxyethyl)benzamide
IUPAC: N,N-bis(2-hydroxyethyl)benzamide
English name: N,N-bis(2-hydroxyethyl)benzamide
Molecular formula: C11H15NO3
Molecular weight: 209.24

Names & synonyms

N,N-Bis(2-hydroxyethyl)benzamideBenzamide, N,N-bis(2-hydroxyethyl)-N-BenzoyldiethanolamineEINECS 261-330-0DTXSID9069267N,N-Di[2-hydroxyethyl]benzamide-NSC 274582N,N-Di(2-hydroxyethyl)benzamide-RefChem:161093DTXCID8042420261-330-0LOTWRKOXHCMWDB-UHFFFAOYSA-N

Show more names

Benzoic acid diethanolamide58566-44-2NSC-274582NSC274582SCHEMBL15460785WC99KMT2Benzamide,N-bis(2-hydroxyethyl)-AKOS008974138

Database identifiers

CAS: 58566-44-2
PubChem CID: 94109
DTXSID: DTXSID9069267
UNII: 85WC99KMT2
EC Number: 261-330-0
Nikkaji: J296.977G

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 60.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 184

Physicochemical properties

Boiling point: 425.2 · 425.2±30.0 °C(Predicted)
Density: 1.211 · 1.211±0.06 g/cm3(Predicted)
pka: 14.03 · 14.03±0.10(Predicted)
FDA UNII: 85 WC99KMT2 · 85WC99KMT2
EPA Substance Registry System: Benzamide, N,N-bis(2-hydroxyethyl)- (58566-44-2)
TSCA: TSCA listed