bis(4-(methylamino)phenol);sulfuric acid

C14H20N2O6S — CID 5930

IUPACbis(4-(methylamino)phenol);sulfuric acid
SMILESCNc1ccc(O)cc1.CNc1ccc(O)cc1.O=S(=O)(O)O
InChIInChI=1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)
InChIKeyZVNPWFOVUDMGRP-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.21
Rot. Bonds2

About bis(4-(methylamino)phenol);sulfuric acid

bis(4-(methylamino)phenol);sulfuric acid (PubChem CID 5930) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is bis(4-(methylamino)phenol);sulfuric acid.

Molecular Properties

Compound Namebis(4-(methylamino)phenol);sulfuric acid
PubChem CID5930
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Namebis(4-(methylamino)phenol);sulfuric acid
SMILESCNc1ccc(O)cc1.CNc1ccc(O)cc1.O=S(=O)(O)O
InChIInChI=1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)
InChIKeyZVNPWFOVUDMGRP-UHFFFAOYSA-N
XLogP2.21
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 52.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-(methylamino)phenol);sulfuric acid?
The IUPAC name of bis(4-(methylamino)phenol);sulfuric acid (CID 5930) is bis(4-(methylamino)phenol);sulfuric acid.
What is the SMILES notation for bis(4-(methylamino)phenol);sulfuric acid?
The canonical SMILES for bis(4-(methylamino)phenol);sulfuric acid is CNc1ccc(O)cc1.CNc1ccc(O)cc1.O=S(=O)(O)O.
What is the InChIKey of bis(4-(methylamino)phenol);sulfuric acid?
The InChIKey is ZVNPWFOVUDMGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4).
What are the key properties of bis(4-(methylamino)phenol);sulfuric acid?
bis(4-(methylamino)phenol);sulfuric acid has a molecular weight of 344.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(methylamino)phenol);sulfuric acid is sourced from PubChem (CID 5930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).