3,4-dimethylbenzene-1,2-diamine;sulfuric acid

C8H14N2O4S — CID 175877271

IUPAC3,4-dimethylbenzene-1,2-diamine;sulfuric acid
SMILESCc1ccc(N)c(N)c1C.O=S(=O)(O)O
InChIInChI=1S/C8H12N2.H2O4S/c1-5-3-4-7(9)8(10)6(5)2;1-5(2,3)4/h3-4H,9-10H2,1-2H3;(H2,1,2,3,4)
InChIKeyMHQFUEBGORBSKA-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.82
Rot. Bonds

About 3,4-dimethylbenzene-1,2-diamine;sulfuric acid

3,4-dimethylbenzene-1,2-diamine;sulfuric acid (PubChem CID 175877271) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3,4-dimethylbenzene-1,2-diamine;sulfuric acid.

Molecular Properties

Compound Name3,4-dimethylbenzene-1,2-diamine;sulfuric acid
PubChem CID175877271
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name3,4-dimethylbenzene-1,2-diamine;sulfuric acid
SMILESCc1ccc(N)c(N)c1C.O=S(=O)(O)O
InChIInChI=1S/C8H12N2.H2O4S/c1-5-3-4-7(9)8(10)6(5)2;1-5(2,3)4/h3-4H,9-10H2,1-2H3;(H2,1,2,3,4)
InChIKeyMHQFUEBGORBSKA-UHFFFAOYSA-N
XLogP0.82
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylbenzene-1,2-diamine;sulfuric acid?
The IUPAC name of 3,4-dimethylbenzene-1,2-diamine;sulfuric acid (CID 175877271) is 3,4-dimethylbenzene-1,2-diamine;sulfuric acid.
What is the SMILES notation for 3,4-dimethylbenzene-1,2-diamine;sulfuric acid?
The canonical SMILES for 3,4-dimethylbenzene-1,2-diamine;sulfuric acid is Cc1ccc(N)c(N)c1C.O=S(=O)(O)O.
What is the InChIKey of 3,4-dimethylbenzene-1,2-diamine;sulfuric acid?
The InChIKey is MHQFUEBGORBSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.H2O4S/c1-5-3-4-7(9)8(10)6(5)2;1-5(2,3)4/h3-4H,9-10H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 3,4-dimethylbenzene-1,2-diamine;sulfuric acid?
3,4-dimethylbenzene-1,2-diamine;sulfuric acid has a molecular weight of 234.28 g/mol, XLogP of 0.82, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylbenzene-1,2-diamine;sulfuric acid is sourced from PubChem (CID 175877271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).