acridin-9-amine;hydrochloride

C13H11ClN2 — CID 8643

IUPACacridin-9-amine;hydrochloride
SMILESCl.Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C13H10N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-8H,(H2,14,15);1H
InChIKeyFTGPOQQGJVJDCT-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.39
Rot. Bonds

About acridin-9-amine;hydrochloride

acridin-9-amine;hydrochloride (PubChem CID 8643) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is acridin-9-amine;hydrochloride.

Molecular Properties

Compound Nameacridin-9-amine;hydrochloride
PubChem CID8643
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Nameacridin-9-amine;hydrochloride
SMILESCl.Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C13H10N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-8H,(H2,14,15);1H
InChIKeyFTGPOQQGJVJDCT-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acridin-9-amine;hydrochloride?
The IUPAC name of acridin-9-amine;hydrochloride (CID 8643) is acridin-9-amine;hydrochloride.
What is the SMILES notation for acridin-9-amine;hydrochloride?
The canonical SMILES for acridin-9-amine;hydrochloride is Cl.Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of acridin-9-amine;hydrochloride?
The InChIKey is FTGPOQQGJVJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-8H,(H2,14,15);1H.
What are the key properties of acridin-9-amine;hydrochloride?
acridin-9-amine;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-9-amine;hydrochloride is sourced from PubChem (CID 8643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).