Back to Search
Molecule
Nitroguanidine
CAS: 556-88-7 · CH4N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 556-88-7
- Molecular Formula
- CH4N4O2
- Molecular Mass
- 104.07 g/mol
Identifiers
CAS Registry Number
556-88-7
SMILES
N=C(N)N[N+](=O)[O-]
InChI Key
IDCPFAYURAQKDZ-UHFFFAOYSA-N
InChI
InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)
Names and Synonyms
- Nitroguanidine Common Name
- Guanidine, N-nitro- Synonym
- Guanidine, nitro- Synonym
- N-Nitroguanidine Synonym
- Nitroguanidine Synonym
- α-Nitroguanidine Synonym
- β-Nitroguanidine Synonym
- Picrite (propellant) Synonym
- N′′-Nitroguanidine Synonym
- 1-Nitroguanidine Synonym
- N1-Nitroguanidine Synonym
- Picrite Synonym
- NQ Synonym
- 2-Nitroguanidine Synonym
- NSC 41036 Synonym
- Lovex D 380 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.07 g/mol | CAS Common Chemistry |
| 104.06899999999999 g/mol | RDKit | |
| 104.069 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.91 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nitroguanidine | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)NC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=IDCPFAYURAQKDZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 239 °C | CAS Common Chemistry |
| Name | Nitroguanidine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.04000000000002 Ų | RDKit |
| 105.04 Ų | RDKit | |
| LogP | -1.3388299999999997 | RDKit |
| -1.3388 | RDKit | |
| Molar Refractivity | 22.044200000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 104.033425368 g/mol | RDKit |
Spectral Data
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.
External Resources
Convert
Quick conversion
MW = 104.07 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
