3-[2-[(5-diazonio-4-oxopentyl)-nitroamino]ethyl-nitroamino]propanoate

CAS: 102516-67-6

Molecular Formula	`C10H16N6O7`
Molecular Weight	332.27 g/mol
LogP	2.1
Topological Polar Surface Area	183.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	332.10803
Heavy Atoms	23
Complexity	485.0

Chemical Identifiers

CAS Number	102516-67-6
SMILES	`C(CC(=O)C[N+]#N)CN(CCN(CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`NXRWOGRWYCNSKK-UHFFFAOYSA-N`

📖 Product Overview

3-[2-[(5-diazonio-4-oxopentyl)-nitroamino]ethyl-nitroamino]propanoate (CAS: 102516-67-6) is a chemical compound with molecular formula C10H16N6O7 and molecular weight 332.27 g/mol. Its IUPAC systematic name is 3-[2-[(5-diazonio-4-oxopentyl)-nitroamino]ethyl-nitroamino]propanoate. LogP 2.1 Topological Polar Surface Area 183.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 10 Rotatable Bonds 10 Exact Mass 332.10803 Heavy Atoms 23 Complexity 485.0 InChI Key: NXRWOGRWYCNSKK-UHFFFAOYSA-N. SMILES: C(CC(=O)C[N+]#N)CN(CCN(CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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