4-aminobenzenecarboximidamide

C7H9N3 — CID 1725

IUPAC4-aminobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N)cc1
InChIInChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)
InChIKeyWPANETAWYGDRLL-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.55
Rot. Bonds1

About 4-aminobenzenecarboximidamide

4-aminobenzenecarboximidamide (PubChem CID 1725) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 4-aminobenzenecarboximidamide.

Molecular Properties

Compound Name4-aminobenzenecarboximidamide
PubChem CID1725
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name4-aminobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N)cc1
InChIInChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)
InChIKeyWPANETAWYGDRLL-UHFFFAOYSA-N
XLogP0.55
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

p-Toluidine
CID 7813
Diminazene
CID 2354
Benzenamine, 4-methyl-, hydrochloride (1:1)
CID 10891
4-Ethylaniline
CID 11504
4-Butylaniline
CID 7694
4-Propylaniline
CID 75908
4-Amidinoaniline dihydrochloride
CID 75626
Benzenecarboximidamide, 4-amino-, hydrochloride (1:1)
CID 122765
4,4'-Diaminostilbene
CID 5284646
4-Aminostyrene
CID 73700
1-carbamimidamido-N-(4-methylphenyl)methanimidamide
CID 2730263
N-Phenylbenzamidine
CID 200127

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenecarboximidamide?
The IUPAC name of 4-aminobenzenecarboximidamide (CID 1725) is 4-aminobenzenecarboximidamide.
What is the SMILES notation for 4-aminobenzenecarboximidamide?
The canonical SMILES for 4-aminobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N)cc1.
What is the InChIKey of 4-aminobenzenecarboximidamide?
The InChIKey is WPANETAWYGDRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10).
What are the key properties of 4-aminobenzenecarboximidamide?
4-aminobenzenecarboximidamide has a molecular weight of 135.17 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenecarboximidamide is sourced from PubChem (CID 1725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).