9H-carbazole-3,6-diamine;dihydrochloride

C12H13Cl2N3 — CID 131882609

IUPAC9H-carbazole-3,6-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc2[nH]c3ccc(N)cc3c2c1
InChIInChI=1S/C12H11N3.2ClH/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;;/h1-6,15H,13-14H2;2*1H
InChIKeyKPOUHNKGJFCGLE-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.33
Rot. Bonds

About 9H-carbazole-3,6-diamine;dihydrochloride

9H-carbazole-3,6-diamine;dihydrochloride (PubChem CID 131882609) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 9H-carbazole-3,6-diamine;dihydrochloride.

Molecular Properties

Compound Name9H-carbazole-3,6-diamine;dihydrochloride
PubChem CID131882609
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name9H-carbazole-3,6-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc2[nH]c3ccc(N)cc3c2c1
InChIInChI=1S/C12H11N3.2ClH/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;;/h1-6,15H,13-14H2;2*1H
InChIKeyKPOUHNKGJFCGLE-UHFFFAOYSA-N
XLogP3.33
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-amino-1,2-dihydroindazole-3-thione
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2-(5-amino-2-methyl-1H-indol-3-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole-3,6-diamine;dihydrochloride?
The IUPAC name of 9H-carbazole-3,6-diamine;dihydrochloride (CID 131882609) is 9H-carbazole-3,6-diamine;dihydrochloride.
What is the SMILES notation for 9H-carbazole-3,6-diamine;dihydrochloride?
The canonical SMILES for 9H-carbazole-3,6-diamine;dihydrochloride is Cl.Cl.Nc1ccc2[nH]c3ccc(N)cc3c2c1.
What is the InChIKey of 9H-carbazole-3,6-diamine;dihydrochloride?
The InChIKey is KPOUHNKGJFCGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3.2ClH/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;;/h1-6,15H,13-14H2;2*1H.
What are the key properties of 9H-carbazole-3,6-diamine;dihydrochloride?
9H-carbazole-3,6-diamine;dihydrochloride has a molecular weight of 270.16 g/mol, XLogP of 3.33, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-3,6-diamine;dihydrochloride is sourced from PubChem (CID 131882609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).