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Nitroglycerin
CAS: 55-63-0 | C3H5N3O9
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
55-63-0
Molecular Formula:
C3H5N3O9
Molecular Mass:
227.08 g/mol
Names and Synonyms:
Nitroglycerin
Nitrolande
1,2,3-Propanetriol, 1,2,3-trinitrate
Nitroglycerin
1,2,3-Propanetriol, trinitrate
Anginine
Blasting oil
Glonoin
Glyceryl nitrate
Glyceryl trinitrate
GTN
NG
Niglycon
Nitrine-TDC
Nitroglycerine
Nitroglycerol
Nitroglyn
Nitrolingual
Nitrolowe
Nitro-Span
NTG
Perglottal
1,2,3-Propanetriyl nitrate
Trinitrin
Trinitroglycerin
Trinitroglycerol
Glycerol trinitrate
Propanetriol trinitrate
Angibid
Angiolingual
Angorin
Cardamist
Lenitral
Myoglycerin
Nitromel
Nitrong
Nitrorectal
Nitroretard
Nitrolan
Nitro-lent
Nitrozell retard
Nitrostat
Trinalgon
Klavikordal
Nysconitrine
Vasoglyn
Glycerin trinitrate
S.N.G.
Gilucor nitro
Nitora
Trinitrol
Nitrostabilin
Temponitrin
Nitroletten
Niglin
Nitrol
Nitrol (pharmaceutical)
Nitrin
Nitrine
NK 843
Nitro-Dur
Nitroderm
Chitamite
Nitropercuten
Penobel 2
Perlinganit
Epinitril
Deponit
Nitro-Bid
Transderm-Nitro
Nitrocardin
Triniplas
Minitran
Minitran (nitroglycerin)
Tridil
SDM 71
SDM 75
Nitrogard
SDM 77
Millisrol
Nitronal
Nitrolar
SDM 78
SDM 79
Nitrodisc
Transderm-Nitro TTS
Trinitrosan
Aquo-Trinitrosan
Diafusor
SDM 74
Glycerol nitric acid triester
Nitroglin
Nitro Mack
Adesitrin
Nitro-PRN
Sustac
Sutonit
Niong
Nitrosigma
SDM 7
Nitrofortin
Coro-Nitro
Percutol
Corditrine
Suscard
Transiderm-Nitro
Reminitrol
Nitro-Gesani
Nitrol Ointment
Lentonitrina
Cordipatch
SDM 17
SDM 20
SDM 26
SDM 27
Discotrine
SDM 36
SDM 47
Susadrin
Gilucor
Nitroderm TTS
GTN (explosive)
Myovin
Solinitrina
Nitropohl
MQX 503
Vasolator
Deponit 10
Dorocontin
Nitromist
Nitro-Time
Trinitrine
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
Key Properties
Boiling Point
250 °C
CAS Common Chemistry
Melting Point
13 °C
CAS Common Chemistry
Density
1.60 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 227.08 g/mol | CAS Common Chemistry |
| 227.08499999999998 g/mol | RDKit | |
| 227.00257874000002 g/mol | RDKit | |
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.6009 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nitroglycerin | CAS Common Chemistry |
| Boiling Point | 250 °C | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)OCC(ON(=O)=O)CON(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SNIOPGDIGTZGOP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 13 °C | CAS Common Chemistry |
| Name | Nitroglycerin | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 157.11 Ų | RDKit |
| LogP | -1.0200999999999996 | RDKit |
| Molar Refractivity | 37.76020000000002 | RDKit |
