Back to Search
Nitroglycerin
CAS: 55-63-0 | C3H5N3O9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55-63-0
Molecular Formula:
C3H5N3O9
Molecular Weight:
227.08499999999998 g/mol
Names and Synonyms:
Nitroglycerin
Trinitrine
Nitro-Time
Nitromist
Dorocontin
Deponit 10
Vasolator
MQX 503
Nitropohl
Solinitrina
Myovin
GTN (explosive)
Nitroderm TTS
Gilucor
Susadrin
SDM 47
SDM 36
Discotrine
SDM 27
SDM 26
SDM 20
SDM 17
Cordipatch
Lentonitrina
Nitrol Ointment
Nitro-Gesani
Reminitrol
Transiderm-Nitro
Suscard
Corditrine
Percutol
Coro-Nitro
Nitrofortin
SDM 7
Nitrosigma
Niong
Sutonit
Sustac
Nitro-PRN
Adesitrin
Nitro Mack
Nitroglin
Glycerol nitric acid triester
SDM 74
Diafusor
Aquo-Trinitrosan
Trinitrosan
Transderm-Nitro TTS
Nitrodisc
SDM 79
SDM 78
Nitrolar
Nitronal
Millisrol
SDM 77
Nitrogard
SDM 75
SDM 71
Tridil
Minitran (nitroglycerin)
Minitran
Triniplas
Nitrocardin
Transderm-Nitro
Nitro-Bid
Deponit
Epinitril
Perlinganit
Penobel 2
Nitropercuten
Chitamite
Nitroderm
Nitro-Dur
NK 843
Nitrine
Nitrin
Nitrol (pharmaceutical)
Nitrol
Niglin
Nitroletten
Temponitrin
Nitrostabilin
Trinitrol
Nitora
Gilucor nitro
S.N.G.
Glycerin trinitrate
Vasoglyn
Nysconitrine
Klavikordal
Trinalgon
Nitrostat
Nitrozell retard
Nitro-lent
Nitrolan
Nitroretard
Nitrorectal
Nitrong
Nitromel
Myoglycerin
Lenitral
Cardamist
Angorin
Angiolingual
Angibid
Propanetriol trinitrate
Glycerol trinitrate
Trinitroglycerol
Trinitroglycerin
Trinitrin
1,2,3-Propanetriyl nitrate
Perglottal
NTG
Nitro-Span
Nitrolowe
Nitrolingual
Nitroglyn
Nitroglycerol
Nitroglycerine
Nitrine-TDC
Niglycon
NG
GTN
Glyceryl trinitrate
Glyceryl nitrate
Glonoin
Blasting oil
Anginine
1,2,3-Propanetriol, trinitrate
Nitroglycerin
1,2,3-Propanetriol, 1,2,3-trinitrate
Nitrolande
Identifiers:
SMILES:
O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
InChI:
InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 227.08 g/mol | Legacy Database |
| density | 1.60 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Nitroglycerin None | Legacy Database |
| cas-boiling-point | 250 °C None | Legacy Database |
| cas-canonical-smile | O=N(=O)OCC(ON(=O)=O)CON(=O)=O None | Legacy Database |
| cas-density | 1.6009 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=SNIOPGDIGTZGOP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 13 °C None | Legacy Database |
| cas-name | Nitroglycerin None | Legacy Database |
| wikipedia-name | Nitroglycerin None | Legacy Database |
| LogP | -1.0200999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 227.08499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 227.00257874000002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 15 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 9 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 8 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 157.11 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.76020000000002 | RDKit |
