Sodium Azide

CAS: 26628-22-8 · N3Na

2D Structure

Loading 3D structure...

CAS Registry Number

26628-22-8

SMILES

[N]N=[N-].[Na+]

InChI Key

PXIPVTKHYLBLMZ-UHFFFAOYSA-N

InChI

InChI=1S/N3.Na/c1-3-2;/q-1;+1

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	65.01 g/mol	CAS Common Chemistry
	65.011 g/mol	RDKit
	69.043 g/mol	chempirical lib
Density	1.85 g/cm³	CAS Common Chemistry
	1.846 g/cm3 @ 20 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Sodium_azide	CAS Common Chemistry
Canonical SMILES	[N-]=[N+]=N[Na]	CAS Common Chemistry
InChI	InChI=1S/N3.Na/c1-3-2;/q-1;+1	CAS Common Chemistry
InChI Key	InChIKey=PXIPVTKHYLBLMZ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	275 °C (decomp)	CAS Common Chemistry
Name	Sodium azide	CAS Common Chemistry
Heavy Atom Count	4	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	56.959999999999994 Å²	RDKit
	56.96 Å²	RDKit
	62.17 Å²	chempirical lib
LogP	-3.0043	RDKit
Molar Refractivity	7.920999999999999 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	64.99899128 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.

Convert

MW = 65.01 g/mol; density = 1.850 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)