benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)

C20H20N2O4 — CID 87647711

IUPACbenzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
SMILESNc1ccccc1N.O=Cc1ccccc1O.O=Cc1ccccc1O
InChIInChI=1S/2C7H6O2.C6H8N2/c2*8-5-6-3-1-2-4-7(6)9;7-5-3-1-2-4-6(5)8/h2*1-5,9H;1-4H,7-8H2
InChIKeyPWRSNLQOHLSQCA-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.26
Rot. Bonds2

About benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)

benzene-1,2-diamine;bis(2-hydroxybenzaldehyde) (PubChem CID 87647711) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is benzene-1,2-diamine;bis(2-hydroxybenzaldehyde).

Molecular Properties

Compound Namebenzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
PubChem CID87647711
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namebenzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
SMILESNc1ccccc1N.O=Cc1ccccc1O.O=Cc1ccccc1O
InChIInChI=1S/2C7H6O2.C6H8N2/c2*8-5-6-3-1-2-4-7(6)9;7-5-3-1-2-4-6(5)8/h2*1-5,9H;1-4H,7-8H2
InChIKeyPWRSNLQOHLSQCA-UHFFFAOYSA-N
XLogP3.26
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzene-1,2-diamine;bis(2-hydroxybenzaldehyde) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
aniline;2-hydroxybenzaldehyde
CID 159847329
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
2-hydroxybenzaldehyde;2-methoxyaniline
CID 174410348
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
CID 175387187
disodium;2-hydroxybenzaldehyde;sulfite
CID 21115552
2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol
CID 162196265
2-aminobenzaldehyde;ethane-1,2-diamine;nickel
CID 87671040

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)?
The IUPAC name of benzene-1,2-diamine;bis(2-hydroxybenzaldehyde) (CID 87647711) is benzene-1,2-diamine;bis(2-hydroxybenzaldehyde).
What is the SMILES notation for benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)?
The canonical SMILES for benzene-1,2-diamine;bis(2-hydroxybenzaldehyde) is Nc1ccccc1N.O=Cc1ccccc1O.O=Cc1ccccc1O.
What is the InChIKey of benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)?
The InChIKey is PWRSNLQOHLSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O2.C6H8N2/c2*8-5-6-3-1-2-4-7(6)9;7-5-3-1-2-4-6(5)8/h2*1-5,9H;1-4H,7-8H2.
What are the key properties of benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)?
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde) has a molecular weight of 352.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;bis(2-hydroxybenzaldehyde) is sourced from PubChem (CID 87647711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).