amino-(2,4-dinitrophenyl)azanium;hydrochloride

C6H8ClN4O4+ — CID 20513050

IUPACamino-(2,4-dinitrophenyl)azanium;hydrochloride
SMILESCl.N[NH2+]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O4.ClH/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;/h1-3,8H,7H2;1H/p+1
InChIKeyPUYFAZQODQZOFK-UHFFFAOYSA-O
MW235.61 g/mol
LogP-0.01
Rot. Bonds3

About amino-(2,4-dinitrophenyl)azanium;hydrochloride

amino-(2,4-dinitrophenyl)azanium;hydrochloride (PubChem CID 20513050) has the molecular formula C6H8ClN4O4+ and a molecular weight of 235.61 g/mol. Its IUPAC name is amino-(2,4-dinitrophenyl)azanium;hydrochloride.

Molecular Properties

Compound Nameamino-(2,4-dinitrophenyl)azanium;hydrochloride
PubChem CID20513050
Molecular FormulaC6H8ClN4O4+
Molecular Weight235.61 g/mol
Exact Mass235.02
IUPAC Nameamino-(2,4-dinitrophenyl)azanium;hydrochloride
SMILESCl.N[NH2+]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O4.ClH/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;/h1-3,8H,7H2;1H/p+1
InChIKeyPUYFAZQODQZOFK-UHFFFAOYSA-O
XLogP-0.01
TPSA128.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.61
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride
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azane;2,4-dinitrophenol;hydrate
CID 174664401
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
2,4-dinitroaniline;sulfuric acid
CID 174852217
benzene;(2,4-dinitrophenyl)hydrazine
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(1S)-1-(2,4-dinitrophenyl)ethanamine
CID 54102317
1,4-bis(2,4-dinitrophenoxy)-2,3-dimethylbenzene
CID 141163009
N'-(2,4-dinitrophenyl)methanediamine
CID 23597616
N'-(2,4-dinitrophenyl)methanimidamide
CID 89273511
1-(difluoromethyl)-2,4-dinitrobenzene
CID 154791323
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774

Frequently Asked Questions

What is the IUPAC name of amino-(2,4-dinitrophenyl)azanium;hydrochloride?
The IUPAC name of amino-(2,4-dinitrophenyl)azanium;hydrochloride (CID 20513050) is amino-(2,4-dinitrophenyl)azanium;hydrochloride.
What is the SMILES notation for amino-(2,4-dinitrophenyl)azanium;hydrochloride?
The canonical SMILES for amino-(2,4-dinitrophenyl)azanium;hydrochloride is Cl.N[NH2+]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of amino-(2,4-dinitrophenyl)azanium;hydrochloride?
The InChIKey is PUYFAZQODQZOFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6N4O4.ClH/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;/h1-3,8H,7H2;1H/p+1.
What are the key properties of amino-(2,4-dinitrophenyl)azanium;hydrochloride?
amino-(2,4-dinitrophenyl)azanium;hydrochloride has a molecular weight of 235.61 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2,4-dinitrophenyl)azanium;hydrochloride is sourced from PubChem (CID 20513050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).