1,2-diphenylguanidine;hydrochloride

C13H14ClN3 — CID 520104

IUPAC1,2-diphenylguanidine;hydrochloride
SMILESCl.N/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C13H13N3.ClH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H
InChIKeyIEDHGYYAGIASNQ-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.17
Rot. Bonds2

About 1,2-diphenylguanidine;hydrochloride

1,2-diphenylguanidine;hydrochloride (PubChem CID 520104) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1,2-diphenylguanidine;hydrochloride.

Molecular Properties

Compound Name1,2-diphenylguanidine;hydrochloride
PubChem CID520104
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1,2-diphenylguanidine;hydrochloride
SMILESCl.N/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C13H13N3.ClH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H
InChIKeyIEDHGYYAGIASNQ-UHFFFAOYSA-N
XLogP3.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylguanidine;hydrochloride?
The IUPAC name of 1,2-diphenylguanidine;hydrochloride (CID 520104) is 1,2-diphenylguanidine;hydrochloride.
What is the SMILES notation for 1,2-diphenylguanidine;hydrochloride?
The canonical SMILES for 1,2-diphenylguanidine;hydrochloride is Cl.N/C(=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1,2-diphenylguanidine;hydrochloride?
The InChIKey is IEDHGYYAGIASNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3.ClH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H.
What are the key properties of 1,2-diphenylguanidine;hydrochloride?
1,2-diphenylguanidine;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylguanidine;hydrochloride is sourced from PubChem (CID 520104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).