Diethylamine

CAS: 109-89-7 | C4H11N

2D Structure

Loading 3D structure...

CAS Registry Number

109-89-7

SMILES

CCNCC

InChI Key

HPNMFZURTQLUMO-UHFFFAOYSA-N

InChI

InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	73.14 g/mol	CAS Common Chemistry
	73.139 g/mol	RDKit
Density	0.71 g/cm³	CAS Common Chemistry
	0.7074 g/cm3 @ 20 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Diethylamine	CAS Common Chemistry
Boiling Point	55.5 °C	CAS Common Chemistry
Canonical SMILES	N(CC)CC	CAS Common Chemistry
InChI	InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3	CAS Common Chemistry
InChI Key	InChIKey=HPNMFZURTQLUMO-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-50 °C	CAS Common Chemistry
Name	Diethylamine	CAS Common Chemistry
Heavy Atom Count	5	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	12.03 Å²	RDKit
LogP	0.6157999999999999	RDKit
	0.6158	RDKit
Molar Refractivity	24.217699999999994 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	73.08914935199999 g/mol	RDKit

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 C4H11N.