Trolnitrate
Basic information
- CAS
7077-34-1- Standard SMILES
O=[N+]([O-])OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-]- InChIKey
HWKQNAWCHQMZHK-UHFFFAOYSA-N- Molecular formula
- C6H12N4O9
- Average molar mass
- 284.18 g/mol
- Monoisotopic mass
- 284.06042797
Overview
Trolnitrate is a nitrate ester.
Names & identifiers
- Preferred name
- Trolnitrate
- IUPAC
- 2-[bis(2-nitrooxyethyl)amino]ethyl nitrate
- English name
- trolnitrate
- Molecular formula
- C6H12N4O9
- Molecular weight
- 284.18
Names & synonyms
TrolnitrateTrolnitrato7077-34-1TrolnitratumDTXSID7023722B9M85U075PDTXCID1037222,2',2''-Nitrilotrisethanol, trinitrate (ester)RefChem:900660nitranolum (for the phosphate)C01DA092-(bis(2-(nitrooxy)ethyl)amino)ethyl nitrate
Show more names
Einecs 230-376-32,2',2''-NitrilotriethylnitratTriethanolaminotrisalpetersaeureester2,2',2''-Nitrilotriethanol trinitrate
Ethanol, 2,2',2''-nitrilotris-, 1,1',1''-trinitrate230-376-3triethanolamine trinitrateTrolnitrate [INN]2-[bis(2-nitrooxyethyl)amino]ethyl nitrateNCGC00182985-01trolnitratTrolnitratum [INN-Latin]
Database identifiers
- CAS
7077-34-1- PubChem CID
- 11499
- DTXSID
DTXSID7023722- ChEMBL
CHEMBL2111164- ChEBI
CHEBI:135172- UNII
- B9M85U075P
- EC Number
- 230-376-3
- Nikkaji
- J8.890K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- FDA UNII
- 9 M85U075P · B9M85U075P
- ATC code
- 1 DA09,C01DA59 · C01DA09,C01DA59
- RIDADR
- 473 · 0473
- HazardClass
- 1.1 A · 1.1A
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 0473
- hazard_class
- 1.1A
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Trolnitrate is a nitrate ester.
Suppliers
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Related reactions
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Compound notes
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