2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride

C8H9Cl3N4 — CID 44542174

IUPAC2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N4.ClH/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12;/h1-4H,(H4,11,12,14);1H/b13-4+;
InChIKeyXWTMACVBCUKXFY-GAYQJXMFSA-N
MW267.55 g/mol
LogP2.02
Rot. Bonds2

About 2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride

2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 44542174) has the molecular formula C8H9Cl3N4 and a molecular weight of 267.55 g/mol. Its IUPAC name is 2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
PubChem CID44542174
Molecular FormulaC8H9Cl3N4
Molecular Weight267.55 g/mol
Exact Mass265.99
IUPAC Name2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N4.ClH/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12;/h1-4H,(H4,11,12,14);1H/b13-4+;
InChIKeyXWTMACVBCUKXFY-GAYQJXMFSA-N
XLogP2.02
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.55
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride (CID 44542174) is 2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is XWTMACVBCUKXFY-GAYQJXMFSA-N. The full InChI is InChI=1S/C8H8Cl2N4.ClH/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12;/h1-4H,(H4,11,12,14);1H/b13-4+;.
What are the key properties of 2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride?
2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 267.55 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 44542174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).