Registration Dossier
Registration Dossier
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EC number: 200-240-8 | CAS number: 55-63-0
Reference substances
- IUPAC name:
- propane-1,2,3-triyl trinitrate
Inventory
- EC number:
- 200-240-8
- EC name:
- Glycerol trinitrate
- CAS number:
- 55-63-0
- CAS number:
- 55-63-0
Synonyms
- Names:
- 1,2,3-Propanetriol, trinitrate
- Identifier:
- IUPAC name
- 1,2,3-Trinitroxypropane
- Identifier:
- IUPAC name
- Glycerol trinitrate
- Identifier:
- IUPAC name
- propane-1,2,3-triyl trinitrate
- Identifier:
- common name
- nitroglycerin
- Identifier:
- other: Molecular formula
- C3H5N3O9
- Identifier:
- other: Molecular formula
- C3H5N3O9C3H5(NO3)3
- Identifier:
- other: Molecular formula
- C3H5O9N3
- Identifier:
- other: InChl
- InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 AuxInfo=1/0/N:5,6,1,13,10,7,14,15,11,12,8,9,4,3,2/E:(1,2)(4,5)(7,8,9,10)(11,12)(13,14)/CRV:4.5,5.5,6.5/rA:15COOOCCNOONOONOO/rB:s1;;;s1s4;s1s3;s2;d7;d7;s3;d10;d10;s4;d13;d13;/rC:5.328,-2.3216,0;5.328,-3.8836,0;2.6318,-2.3216,0;8.0122,-2.3216,0;6.6962,-1.5299,0;4.0335,-1.5299,0;3.9799,-4.6433,0;2.6533,-3.873,0;3.9799,-6.1839,0;1.3266,-1.5299,0;1.3266,0,0;0,-2.3109,0;9.3816,-1.562,0;10.6976,-2.3858,0;9.4031,-.0536,0;
- Identifier:
- other: SMILES notation
- O=N(=O)OCC(CON(=O)=O)ON(=O)=O
- propane-1,2,3-triyl trinitrate
Molecular and structural information
- Molecular formula:
- C3H5N3O9
C3H5(NO3)3 - Molecular weight:
- 227.087
- SMILES notation:
- [O-][N+](=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
- InChl:
- InChI=1/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
- Structural formula:
Related substances
- Identifier:
- CAS number
- Identity:
- 55-63-0
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