4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride

C12H14ClN3 — CID 22061900

IUPAC4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride
SMILESCl.Nc1ccc(-c2ccc(N)cc2N)cc1
InChIInChI=1S/C12H13N3.ClH/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15;/h1-7H,13-15H2;1H
InChIKeyUPWSUPQSYYDGED-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.52
Rot. Bonds1

About 4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride

4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride (PubChem CID 22061900) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride
PubChem CID22061900
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride
SMILESCl.Nc1ccc(-c2ccc(N)cc2N)cc1
InChIInChI=1S/C12H13N3.ClH/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15;/h1-7H,13-15H2;1H
InChIKeyUPWSUPQSYYDGED-UHFFFAOYSA-N
XLogP2.52
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride?
The IUPAC name of 4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride (CID 22061900) is 4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride.
What is the SMILES notation for 4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride?
The canonical SMILES for 4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride is Cl.Nc1ccc(-c2ccc(N)cc2N)cc1.
What is the InChIKey of 4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride?
The InChIKey is UPWSUPQSYYDGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.ClH/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15;/h1-7H,13-15H2;1H.
What are the key properties of 4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride?
4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride has a molecular weight of 235.72 g/mol, XLogP of 2.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)benzene-1,3-diamine;hydrochloride is sourced from PubChem (CID 22061900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).