sodium;4-aminophenol;hydride

C6H8NNaO — CID 173115063

IUPACsodium;4-aminophenol;hydride
SMILESNc1ccc(O)cc1.[H-].[Na+]
InChIInChI=1S/C6H7NO.Na.H/c7-5-1-3-6(8)4-2-5;;/h1-4,8H,7H2;;/q;+1;-1
InChIKeyPTVZNOZVHREFER-UHFFFAOYSA-N
MW133.13 g/mol
LogP-1.91
Rot. Bonds

About sodium;4-aminophenol;hydride

sodium;4-aminophenol;hydride (PubChem CID 173115063) has the molecular formula C6H8NNaO and a molecular weight of 133.13 g/mol. Its IUPAC name is sodium;4-aminophenol;hydride.

Molecular Properties

Compound Namesodium;4-aminophenol;hydride
PubChem CID173115063
Molecular FormulaC6H8NNaO
Molecular Weight133.13 g/mol
Exact Mass133.05
IUPAC Namesodium;4-aminophenol;hydride
SMILESNc1ccc(O)cc1.[H-].[Na+]
InChIInChI=1S/C6H7NO.Na.H/c7-5-1-3-6(8)4-2-5;;/h1-4,8H,7H2;;/q;+1;-1
InChIKeyPTVZNOZVHREFER-UHFFFAOYSA-N
XLogP-1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

lithium;4-aminophenol;hydride
CID 173115053
disodium;benzene-1,4-diol;hydride
CID 173178650
aniline;benzene;benzene-1,4-diol
CID 175585204
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-aminophenol;butane;methanamine
CID 145479199
4-(4-aminophenyl)sulfanylphenol
CID 22026416
calcium;benzene-1,4-diol;hydride
CID 173044185
3-aminophenol;4-aminophenol;benzene-1,3-diamine;benzene-1,4-diamine
CID 174818324
4-(4-aminophenyl)aniline;phenol
CID 159428015
aniline;phenol
CID 174726991
aniline;benzene;phenol
CID 159610058
5-amino-2-methylphenol;4-aminophenol
CID 162229145

Frequently Asked Questions

What is the IUPAC name of sodium;4-aminophenol;hydride?
The IUPAC name of sodium;4-aminophenol;hydride (CID 173115063) is sodium;4-aminophenol;hydride.
What is the SMILES notation for sodium;4-aminophenol;hydride?
The canonical SMILES for sodium;4-aminophenol;hydride is Nc1ccc(O)cc1.[H-].[Na+].
What is the InChIKey of sodium;4-aminophenol;hydride?
The InChIKey is PTVZNOZVHREFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.Na.H/c7-5-1-3-6(8)4-2-5;;/h1-4,8H,7H2;;/q;+1;-1.
What are the key properties of sodium;4-aminophenol;hydride?
sodium;4-aminophenol;hydride has a molecular weight of 133.13 g/mol, XLogP of -1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-aminophenol;hydride is sourced from PubChem (CID 173115063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).