2-aminobenzaldehyde;ethane-1,2-diamine;nickel

C9H15N3NiO — CID 87671040

IUPAC2-aminobenzaldehyde;ethane-1,2-diamine;nickel
SMILESNCCN.Nc1ccccc1C=O.[Ni]
InChIInChI=1S/C7H7NO.C2H8N2.Ni/c8-7-4-2-1-3-6(7)5-9;3-1-2-4;/h1-5H,8H2;1-4H2;
InChIKeyCEPWJDJHJXIRNA-UHFFFAOYSA-N
MW239.93 g/mol
LogP-0.02
Rot. Bonds2

About 2-aminobenzaldehyde;ethane-1,2-diamine;nickel

2-aminobenzaldehyde;ethane-1,2-diamine;nickel (PubChem CID 87671040) has the molecular formula C9H15N3NiO and a molecular weight of 239.93 g/mol. Its IUPAC name is 2-aminobenzaldehyde;ethane-1,2-diamine;nickel.

Molecular Properties

Compound Name2-aminobenzaldehyde;ethane-1,2-diamine;nickel
PubChem CID87671040
Molecular FormulaC9H15N3NiO
Molecular Weight239.93 g/mol
Exact Mass239.06
IUPAC Name2-aminobenzaldehyde;ethane-1,2-diamine;nickel
SMILESNCCN.Nc1ccccc1C=O.[Ni]
InChIInChI=1S/C7H7NO.C2H8N2.Ni/c8-7-4-2-1-3-6(7)5-9;3-1-2-4;/h1-5H,8H2;1-4H2;
InChIKeyCEPWJDJHJXIRNA-UHFFFAOYSA-N
XLogP-0.02
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.93
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzaldehyde;ethane-1,2-diamine;nickel?
The IUPAC name of 2-aminobenzaldehyde;ethane-1,2-diamine;nickel (CID 87671040) is 2-aminobenzaldehyde;ethane-1,2-diamine;nickel.
What is the SMILES notation for 2-aminobenzaldehyde;ethane-1,2-diamine;nickel?
The canonical SMILES for 2-aminobenzaldehyde;ethane-1,2-diamine;nickel is NCCN.Nc1ccccc1C=O.[Ni].
What is the InChIKey of 2-aminobenzaldehyde;ethane-1,2-diamine;nickel?
The InChIKey is CEPWJDJHJXIRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C2H8N2.Ni/c8-7-4-2-1-3-6(7)5-9;3-1-2-4;/h1-5H,8H2;1-4H2;.
What are the key properties of 2-aminobenzaldehyde;ethane-1,2-diamine;nickel?
2-aminobenzaldehyde;ethane-1,2-diamine;nickel has a molecular weight of 239.93 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzaldehyde;ethane-1,2-diamine;nickel is sourced from PubChem (CID 87671040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).