benzene-1,3-diamine;zinc

C6H8N2Zn — CID 175999138

IUPACbenzene-1,3-diamine;zinc
SMILESNc1cccc(N)c1.[Zn]
InChIInChI=1S/C6H8N2.Zn/c7-5-2-1-3-6(8)4-5;/h1-4H,7-8H2;
InChIKeyMYJCIVLXBNUWMU-UHFFFAOYSA-N
MW173.53 g/mol
LogP0.85
Rot. Bonds

About benzene-1,3-diamine;zinc

benzene-1,3-diamine;zinc (PubChem CID 175999138) has the molecular formula C6H8N2Zn and a molecular weight of 173.53 g/mol. Its IUPAC name is benzene-1,3-diamine;zinc.

Molecular Properties

Compound Namebenzene-1,3-diamine;zinc
PubChem CID175999138
Molecular FormulaC6H8N2Zn
Molecular Weight173.53 g/mol
Exact Mass172.00
IUPAC Namebenzene-1,3-diamine;zinc
SMILESNc1cccc(N)c1.[Zn]
InChIInChI=1S/C6H8N2.Zn/c7-5-2-1-3-6(8)4-5;/h1-4H,7-8H2;
InChIKeyMYJCIVLXBNUWMU-UHFFFAOYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.53
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diamine;zinc?
The IUPAC name of benzene-1,3-diamine;zinc (CID 175999138) is benzene-1,3-diamine;zinc.
What is the SMILES notation for benzene-1,3-diamine;zinc?
The canonical SMILES for benzene-1,3-diamine;zinc is Nc1cccc(N)c1.[Zn].
What is the InChIKey of benzene-1,3-diamine;zinc?
The InChIKey is MYJCIVLXBNUWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.Zn/c7-5-2-1-3-6(8)4-5;/h1-4H,7-8H2;.
What are the key properties of benzene-1,3-diamine;zinc?
benzene-1,3-diamine;zinc has a molecular weight of 173.53 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-1,3-diamine;zinc is sourced from PubChem (CID 175999138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).