sodium;aniline;hydride;phosphoric acid

C6H11NNaO4P — CID 175182600

IUPACsodium;aniline;hydride;phosphoric acid
SMILESNc1ccccc1.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H7N.Na.H3O4P.H/c7-6-4-2-1-3-5-6;;1-5(2,3)4;/h1-5H,7H2;;(H3,1,2,3,4);/q;+1;;-1
InChIKeyWEGJXEODNLNAKA-UHFFFAOYSA-N
MW215.12 g/mol
LogP-2.54
Rot. Bonds

About sodium;aniline;hydride;phosphoric acid

sodium;aniline;hydride;phosphoric acid (PubChem CID 175182600) has the molecular formula C6H11NNaO4P and a molecular weight of 215.12 g/mol. Its IUPAC name is sodium;aniline;hydride;phosphoric acid.

Molecular Properties

Compound Namesodium;aniline;hydride;phosphoric acid
PubChem CID175182600
Molecular FormulaC6H11NNaO4P
Molecular Weight215.12 g/mol
Exact Mass215.03
IUPAC Namesodium;aniline;hydride;phosphoric acid
SMILESNc1ccccc1.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H7N.Na.H3O4P.H/c7-6-4-2-1-3-5-6;;1-5(2,3)4;/h1-5H,7H2;;(H3,1,2,3,4);/q;+1;;-1
InChIKeyWEGJXEODNLNAKA-UHFFFAOYSA-N
XLogP-2.54
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 5-2.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 66746384
sodium;aniline;hydride;dihydrate
CID 173275717
aniline;methanol
CID 140536335
aniline;niobium
CID 161015220
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aniline;azane
CID 171780637
aniline;mercury
CID 54604260
aniline;benzenediazonium;dihydrogen phosphate
CID 173150231
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CID 68656751
aniline;carbanide;hafnium
CID 158735732
aniline;sulfane;hydrofluoride
CID 174744569

Frequently Asked Questions

What is the IUPAC name of sodium;aniline;hydride;phosphoric acid?
The IUPAC name of sodium;aniline;hydride;phosphoric acid (CID 175182600) is sodium;aniline;hydride;phosphoric acid.
What is the SMILES notation for sodium;aniline;hydride;phosphoric acid?
The canonical SMILES for sodium;aniline;hydride;phosphoric acid is Nc1ccccc1.O=P(O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;aniline;hydride;phosphoric acid?
The InChIKey is WEGJXEODNLNAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.Na.H3O4P.H/c7-6-4-2-1-3-5-6;;1-5(2,3)4;/h1-5H,7H2;;(H3,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;aniline;hydride;phosphoric acid?
sodium;aniline;hydride;phosphoric acid has a molecular weight of 215.12 g/mol, XLogP of -2.54, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;aniline;hydride;phosphoric acid is sourced from PubChem (CID 175182600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).