Dinitranyl
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Basic information
- CAS
83711-65-3- Standard SMILES
C#CCN(C)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
UPNZJMVYFNCDSO-UHFFFAOYSA-N- Molecular formula
- C13H16N4O4
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.117155
Overview
structure given in first source
Names & identifiers
- Preferred name
- Dinitranyl
- IUPAC
- N-(2,4-dinitrophenyl)-N'-methyl-N'-prop-2-ynylpropane-1,3-diamine
- English name
- dinitranyl
- Molecular formula
- C13H16N4O4
- Molecular weight
- 292.29
Names & synonyms
Dinitranyl83711-65-31,3-Propanediamine, N'-(2,4-dinitrophenyl)-N-methyl-N-2-propynyl-RefChem:134444N-(2,4-dinitrophenyl)-N'-methyl-N'-prop-2-ynylpropane-1,3-diamineSCHEMBL30554738DTXSID401003722N~3~-(2,4-Dinitrophenyl)-N~1~-methyl-N~1~-(prop-2-yn-1-yl)propane-1,3-diamine1,3-Propanediamine, N'-(2,4-dinitrophenyl)-N-methyl-N-2-propynyl- (9CI)
Database identifiers
- CAS
83711-65-3- PubChem CID
- 134339
- DTXSID
DTXSID401003722
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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