(5-Azido-2-nitrobenzoyl)spermine

Substructure search Find similar structures

Basic information

CAS: 120547-02-6
Standard SMILES: [N-]=[N+]=Nc1ccc([N+](=O)[O-])c(C(=O)NCCCNCCCCNCCCN)c1
InChIKey: ZVKKQYNRQFGEAV-UHFFFAOYSA-N
Molecular formula: C17H28N8O3
Average molar mass: 392.5 g/mol
Monoisotopic mass: 392.22843678

Overview

structure given in first source

Names & identifiers

Preferred name: (5-Azido-2-nitrobenzoyl)spermine
IUPAC: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-azido-2-nitrobenzamide

Names & synonyms

(5-Azido-2-nitrobenzoyl)spermineAnb-spermine120547-02-6DTXSID10152903RefChem:69590DTXCID2075394138109-67-8N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-azido-2-nitrobenzamideN-[3-({4-[(3-AMINOPROPYL)AMINO]BUTYL}AMINO)PROPYL]-5-AZIDO-2-NITROBENZAMIDE

Database identifiers

CAS: 120547-02-6
PubChem CID: 129187
DTXSID: DTXSID10152903
Nikkaji: J1.479.439E

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 139 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 14
Heavy atoms: 28
Formal charge: 0
Complexity: 507

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…