2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride

C16H13Cl3N4 — CID 44531833

IUPAC2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1c2ccccc2c(Cl)c2c(Cl)cccc12
InChIInChI=1S/C16H12Cl2N4.ClH/c17-13-7-3-6-10-12(8-21-22-16(19)20)9-4-1-2-5-11(9)15(18)14(10)13;/h1-8H,(H4,19,20,22);1H
InChIKeyJNQKLOAJNHDWLA-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.33
Rot. Bonds2

About 2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride

2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride (PubChem CID 44531833) has the molecular formula C16H13Cl3N4 and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
PubChem CID44531833
Molecular FormulaC16H13Cl3N4
Molecular Weight367.67 g/mol
Exact Mass366.02
IUPAC Name2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1c2ccccc2c(Cl)c2c(Cl)cccc12
InChIInChI=1S/C16H12Cl2N4.ClH/c17-13-7-3-6-10-12(8-21-22-16(19)20)9-4-1-2-5-11(9)15(18)14(10)13;/h1-8H,(H4,19,20,22);1H
InChIKeyJNQKLOAJNHDWLA-UHFFFAOYSA-N
XLogP4.33
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.33
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(Phenanthren-9-ylmethylideneamino)guanidine;hydrochloride
CID 44531578
2-[(2,6,10-Trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
CID 44531818
2-(Phenanthren-3-ylmethylideneamino)guanidine;hydrochloride
CID 44531837
2-[(3,10-Dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
CID 44531839
2-[(2,10-Dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
CID 44531851
2-(Phenanthren-2-ylmethylideneamino)guanidine;hydrochloride
CID 44531853
2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride
CID 23471429
2-[(E)-[10-[(E)-[(Z)-[amino(dimethylamino)methylidene]hydrazinylidene]methyl]-2-chloroanthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydrochloride
CID 73354164
9-Chloro-10-anthracene aldoxime
CID 129755945
2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine
CID 5387668
N''-[(Z)-(Anthracen-9-yl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)
CID 54610821
1-(9'-Chloro-anthrylmethylene)amino-3-hydroxy-guanidine
CID 129717773

Frequently Asked Questions

What is the IUPAC name of 2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride (CID 44531833) is 2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=NN=Cc1c2ccccc2c(Cl)c2c(Cl)cccc12.
What is the InChIKey of 2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
The InChIKey is JNQKLOAJNHDWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4.ClH/c17-13-7-3-6-10-12(8-21-22-16(19)20)9-4-1-2-5-11(9)15(18)14(10)13;/h1-8H,(H4,19,20,22);1H.
What are the key properties of 2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride has a molecular weight of 367.67 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 44531833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).