sodium 2-aminophenol

C6H7NNaO+ — CID 18764426

IUPACsodium 2-aminophenol
SMILESNc1ccccc1O.[Na+]
InChIInChI=1S/C6H7NO.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;/q;+1
InChIKeyMLHBVSUMBZUBHC-UHFFFAOYSA-N
MW132.12 g/mol
LogP-2.02
Rot. Bonds

About sodium 2-aminophenol

sodium 2-aminophenol (PubChem CID 18764426) has the molecular formula C6H7NNaO+ and a molecular weight of 132.12 g/mol. Its IUPAC name is sodium 2-aminophenol.

Molecular Properties

Compound Namesodium 2-aminophenol
PubChem CID18764426
Molecular FormulaC6H7NNaO+
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Namesodium 2-aminophenol
SMILESNc1ccccc1O.[Na+]
InChIInChI=1S/C6H7NO.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;/q;+1
InChIKeyMLHBVSUMBZUBHC-UHFFFAOYSA-N
XLogP-2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminophenol;azane
CID 159865141
2-aminophenol;ethane;methane
CID 158189798
CID 175422466
CID 175422466
2-aminophenol;2-(2-aminophenoxy)aniline
CID 174452334
2-aminophenol;diphenylborinic acid
CID 68945531
2-aminobenzoic acid;2-aminophenol
CID 23062986
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
benzene-1,2-diamine;zinc
CID 70562194
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
3-aminonaphthalene-2-carboxylic acid;2-aminophenol
CID 70253248
2-aminophenol;phenyl dihydrogen phosphate
CID 158038709
1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol
CID 174453955

Frequently Asked Questions

What is the IUPAC name of sodium 2-aminophenol?
The IUPAC name of sodium 2-aminophenol (CID 18764426) is sodium 2-aminophenol.
What is the SMILES notation for sodium 2-aminophenol?
The canonical SMILES for sodium 2-aminophenol is Nc1ccccc1O.[Na+].
What is the InChIKey of sodium 2-aminophenol?
The InChIKey is MLHBVSUMBZUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;/q;+1.
What are the key properties of sodium 2-aminophenol?
sodium 2-aminophenol has a molecular weight of 132.12 g/mol, XLogP of -2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-aminophenol is sourced from PubChem (CID 18764426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).