sodium;aniline;hydride;dihydrate

C6H21NNaO2-9 — CID 173275717

IUPACsodium;aniline;hydride;dihydrate
SMILESNc1ccccc1.O.O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+]
InChIInChI=1S/C6H7N.Na.2H2O.10H/c7-6-4-2-1-3-5-6;;;;;;;;;;;;;/h1-5H,7H2;;2*1H2;;;;;;;;;;/q;+1;;;10*-1
InChIKeyBEEVYRYMUFJSML-UHFFFAOYSA-N
MW162.23 g/mol
LogP-2.25
Rot. Bonds

About sodium;aniline;hydride;dihydrate

sodium;aniline;hydride;dihydrate (PubChem CID 173275717) has the molecular formula C6H21NNaO2-9 and a molecular weight of 162.23 g/mol. Its IUPAC name is sodium;aniline;hydride;dihydrate.

Molecular Properties

Compound Namesodium;aniline;hydride;dihydrate
PubChem CID173275717
Molecular FormulaC6H21NNaO2-9
Molecular Weight162.23 g/mol
Exact Mass162.15
IUPAC Namesodium;aniline;hydride;dihydrate
SMILESNc1ccccc1.O.O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+]
InChIInChI=1S/C6H7N.Na.2H2O.10H/c7-6-4-2-1-3-5-6;;;;;;;;;;;;;/h1-5H,7H2;;2*1H2;;;;;;;;;;/q;+1;;;10*-1
InChIKeyBEEVYRYMUFJSML-UHFFFAOYSA-N
XLogP-2.25
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-2.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

aniline;mercury
CID 54604260
aniline;mercury(2+)
CID 23616182
aniline;azane
CID 171780637
aniline;niobium
CID 161015220
sodium;aniline;carbonic acid;hydride
CID 175280477
aniline;carbanide;hafnium
CID 158735732
aniline;pentakis(oxygen(2-));bis(vanadium)
CID 173287766
zinc;aniline;dichloride
CID 70636252
aniline;sulfane;hydrofluoride
CID 174744569
magnesium;aniline;carbanide
CID 87207909
CID 158400952
CID 158400952
sodium;aniline;hydride;phosphoric acid
CID 175182600

Frequently Asked Questions

What is the IUPAC name of sodium;aniline;hydride;dihydrate?
The IUPAC name of sodium;aniline;hydride;dihydrate (CID 173275717) is sodium;aniline;hydride;dihydrate.
What is the SMILES notation for sodium;aniline;hydride;dihydrate?
The canonical SMILES for sodium;aniline;hydride;dihydrate is Nc1ccccc1.O.O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].
What is the InChIKey of sodium;aniline;hydride;dihydrate?
The InChIKey is BEEVYRYMUFJSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.Na.2H2O.10H/c7-6-4-2-1-3-5-6;;;;;;;;;;;;;/h1-5H,7H2;;2*1H2;;;;;;;;;;/q;+1;;;10*-1.
What are the key properties of sodium;aniline;hydride;dihydrate?
sodium;aniline;hydride;dihydrate has a molecular weight of 162.23 g/mol, XLogP of -2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;aniline;hydride;dihydrate is sourced from PubChem (CID 173275717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).