N,N-Diethyl-2-Hydroxybenzamide

CAS: 19311-91-2 | C11H15NO2

2D Structure

Loading 3D structure...

CAS Registry Number

19311-91-2

SMILES

CCN(CC)C(=O)c1ccccc1O

InChI Key

ZVYXEXAXXWINEH-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h5-8,13H,3-4H2,1-2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	193.25 g/mol	CAS Common Chemistry
	193.246 g/mol	RDKit
Canonical SMILES	O=C(C=1C=CC=CC1O)N(CC)CC	CAS Common Chemistry
InChI	InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h5-8,13H,3-4H2,1-2H3	CAS Common Chemistry
InChI Key	InChIKey=ZVYXEXAXXWINEH-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	103-104 °C @ Solvent: Acetone, Water, Ethanol	CAS Common Chemistry
Name	N,N-Diethyl-2-hydroxybenzamide	CAS Common Chemistry
Heavy Atom Count	14	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	40.540000000000006 Å²	RDKit
	40.54 Å²	RDKit
	40.31 Å²	chempirical lib
LogP	1.8741999999999996	RDKit
	1.8742	RDKit
	1.98	chempirical lib
Molar Refractivity	55.358300000000035 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.3636	RDKit
	0.36	chempirical lib
Exact Mass	193.11027872 g/mol	RDKit
Boiling Point	165-170 °C @ 15 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C11H15NO2.