Basic information
- CAS
5304-59-6- Standard SMILES
NC(N)=NC(N)=Nc1ccc(Cl)cc1- InChIKey
HTYFFCPFVMJTKM-UHFFFAOYSA-N- Molecular formula
- C8H10ClN5
- Average molar mass
- 211.65 g/mol
- Monoisotopic mass
- 211.062473
Names & identifiers
- Preferred name
- (4-Chlorophenyl)biguanide
- IUPAC
- 2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine
- English name
- 1-(4-chlorophenyl)biguanide
- Molecular formula
- C8H10ClN5
- Molecular weight
- 211.6515
Names & synonyms
4-Chlorophenylbiguanide5304-59-61-(4-Chlorophenyl)biguanide(4-chlorophenyl)biguanidep-chlorophenylbiguanideDTXSID1020108661UQ98597TNSC-220325Imidodicarbonimidic diamide, N-(4-chlorophenyl)-RefChem:906103DTXCID10123577226-155-6
Show more names
Ai3-52174Nsc 220325Einecs 226-155-61-(p-Chlorophenyl)biguanide1-(4-Chlorophenyl)biguanide-d4 Hydrochloride1-(p-Chlorophenyl)biguanide-d4 MonohydrochlorideN-(4-Chlorophenyl)iMidodicarboniMidic-d4 DiaMide Hydrochloride
1-carbamimidamido-N-(4-chlorophenyl)methanimidamide2-(4-chlorophenyl)-1-(diaminomethylidene)guanidineN-(4-chlorophenyl)imidodicarbonimidic diamideCHEMBL840Imidodicarbonimidic diamide, N-(4-chlorophenyl)-, hydrochlorideN-(4-chlorophenyl)imidodicarbonimidic diamide hydrochloride1-carbamimidoyl-3-(4-chlorophenyl)guanidineUNII-61UQ98597T
Database identifiers
- CAS
5304-59-6- PubChem CID
- 19933
- DTXSID
DTXSID10201086- ChEMBL
CHEMBL840- UNII
- 61UQ98597T
- EC Number
- 226-155-6
- Nikkaji
- J297.991H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Proguanil
Physicochemical properties
- Melting point
- 144 °C · 144 °C
- Boiling point
- 313 · 313.0±44.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 11.39 · 11.39±0.10(Predicted)
- FDA UNII
- 61 UQ98597T · 61UQ98597T
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-Chlorophenylbiguanide is a known human metabolite of Proguanil.
Applications
UsesLabelled 1-(4-Chlorophenyl)biguanide (C378540). 1-(4-Chlorophenyl)biguanide is a guanide derivative that can inhibit significantly dihydrofolate reductase (DHFR).
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…