1H-phenalene-1,2-diamine;dihydrochloride

C13H14Cl2N2 — CID 174160144

IUPAC1H-phenalene-1,2-diamine;dihydrochloride
SMILESCl.Cl.NC1=Cc2cccc3cccc(c23)C1N
InChIInChI=1S/C13H12N2.2ClH/c14-11-7-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15;;/h1-7,13H,14-15H2;2*1H
InChIKeyGWWUJNZYGMJFDC-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.00
Rot. Bonds

About 1H-phenalene-1,2-diamine;dihydrochloride

1H-phenalene-1,2-diamine;dihydrochloride (PubChem CID 174160144) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 1H-phenalene-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1H-phenalene-1,2-diamine;dihydrochloride
PubChem CID174160144
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1H-phenalene-1,2-diamine;dihydrochloride
SMILESCl.Cl.NC1=Cc2cccc3cccc(c23)C1N
InChIInChI=1S/C13H12N2.2ClH/c14-11-7-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15;;/h1-7,13H,14-15H2;2*1H
InChIKeyGWWUJNZYGMJFDC-UHFFFAOYSA-N
XLogP3.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-phenalene-1,2-diamine;dihydrochloride?
The IUPAC name of 1H-phenalene-1,2-diamine;dihydrochloride (CID 174160144) is 1H-phenalene-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1H-phenalene-1,2-diamine;dihydrochloride?
The canonical SMILES for 1H-phenalene-1,2-diamine;dihydrochloride is Cl.Cl.NC1=Cc2cccc3cccc(c23)C1N.
What is the InChIKey of 1H-phenalene-1,2-diamine;dihydrochloride?
The InChIKey is GWWUJNZYGMJFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.2ClH/c14-11-7-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15;;/h1-7,13H,14-15H2;2*1H.
What are the key properties of 1H-phenalene-1,2-diamine;dihydrochloride?
1H-phenalene-1,2-diamine;dihydrochloride has a molecular weight of 269.18 g/mol, XLogP of 3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-phenalene-1,2-diamine;dihydrochloride is sourced from PubChem (CID 174160144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).