benzene-1,2-diamine

C6H8N2 — CID 7243

IUPACbenzene-1,2-diamine
SMILESNc1ccccc1N
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
InChIKeyGEYOCULIXLDCMW-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.85
Rot. Bonds

About benzene-1,2-diamine

benzene-1,2-diamine (PubChem CID 7243) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is benzene-1,2-diamine.

Molecular Properties

Compound Namebenzene-1,2-diamine
PubChem CID7243
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Namebenzene-1,2-diamine
SMILESNc1ccccc1N
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
InChIKeyGEYOCULIXLDCMW-UHFFFAOYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine?
The IUPAC name of benzene-1,2-diamine (CID 7243) is benzene-1,2-diamine.
What is the SMILES notation for benzene-1,2-diamine?
The canonical SMILES for benzene-1,2-diamine is Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine?
The InChIKey is GEYOCULIXLDCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2.
What are the key properties of benzene-1,2-diamine?
benzene-1,2-diamine has a molecular weight of 108.14 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine is sourced from PubChem (CID 7243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).