4-phenylbenzene-1,2-diamine;dihydrochloride

C12H14Cl2N2 — CID 53439687

IUPAC4-phenylbenzene-1,2-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C12H12N2.2ClH/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9;;/h1-8H,13-14H2;2*1H
InChIKeyULUASHXJEYHCNH-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.36
Rot. Bonds1

About 4-phenylbenzene-1,2-diamine;dihydrochloride

4-phenylbenzene-1,2-diamine;dihydrochloride (PubChem CID 53439687) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 4-phenylbenzene-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name4-phenylbenzene-1,2-diamine;dihydrochloride
PubChem CID53439687
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC Name4-phenylbenzene-1,2-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C12H12N2.2ClH/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9;;/h1-8H,13-14H2;2*1H
InChIKeyULUASHXJEYHCNH-UHFFFAOYSA-N
XLogP3.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-phenylbenzene-1,2-diamine;dihydrochloride?
The IUPAC name of 4-phenylbenzene-1,2-diamine;dihydrochloride (CID 53439687) is 4-phenylbenzene-1,2-diamine;dihydrochloride.
What is the SMILES notation for 4-phenylbenzene-1,2-diamine;dihydrochloride?
The canonical SMILES for 4-phenylbenzene-1,2-diamine;dihydrochloride is Cl.Cl.Nc1ccc(-c2ccccc2)cc1N.
What is the InChIKey of 4-phenylbenzene-1,2-diamine;dihydrochloride?
The InChIKey is ULUASHXJEYHCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2ClH/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9;;/h1-8H,13-14H2;2*1H.
What are the key properties of 4-phenylbenzene-1,2-diamine;dihydrochloride?
4-phenylbenzene-1,2-diamine;dihydrochloride has a molecular weight of 257.16 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbenzene-1,2-diamine;dihydrochloride is sourced from PubChem (CID 53439687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).