acridin-3-amine;sulfuric acid;hydrate

C13H14N2O5S — CID 175099917

IUPACacridin-3-amine;sulfuric acid;hydrate
SMILESNc1ccc2cc3ccccc3nc2c1.O.O=S(=O)(O)O
InChIInChI=1S/C13H10N2.H2O4S.H2O/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11;1-5(2,3)4;/h1-8H,14H2;(H2,1,2,3,4);1H2
InChIKeyKCQWIJPLAGXKEI-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.49
Rot. Bonds

About acridin-3-amine;sulfuric acid;hydrate

acridin-3-amine;sulfuric acid;hydrate (PubChem CID 175099917) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is acridin-3-amine;sulfuric acid;hydrate.

Molecular Properties

Compound Nameacridin-3-amine;sulfuric acid;hydrate
PubChem CID175099917
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Nameacridin-3-amine;sulfuric acid;hydrate
SMILESNc1ccc2cc3ccccc3nc2c1.O.O=S(=O)(O)O
InChIInChI=1S/C13H10N2.H2O4S.H2O/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11;1-5(2,3)4;/h1-8H,14H2;(H2,1,2,3,4);1H2
InChIKeyKCQWIJPLAGXKEI-UHFFFAOYSA-N
XLogP1.49
TPSA145.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acridin-3-amine;sulfuric acid;hydrate?
The IUPAC name of acridin-3-amine;sulfuric acid;hydrate (CID 175099917) is acridin-3-amine;sulfuric acid;hydrate.
What is the SMILES notation for acridin-3-amine;sulfuric acid;hydrate?
The canonical SMILES for acridin-3-amine;sulfuric acid;hydrate is Nc1ccc2cc3ccccc3nc2c1.O.O=S(=O)(O)O.
What is the InChIKey of acridin-3-amine;sulfuric acid;hydrate?
The InChIKey is KCQWIJPLAGXKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.H2O4S.H2O/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11;1-5(2,3)4;/h1-8H,14H2;(H2,1,2,3,4);1H2.
What are the key properties of acridin-3-amine;sulfuric acid;hydrate?
acridin-3-amine;sulfuric acid;hydrate has a molecular weight of 310.33 g/mol, XLogP of 1.49, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-3-amine;sulfuric acid;hydrate is sourced from PubChem (CID 175099917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).