Basic information
- CAS
55-57-2- Standard SMILES
Cl.NC(N)=NC(N)=Nc1ccccc1- InChIKey
FHUDRDSKZQDCBC-UHFFFAOYSA-N- Molecular formula
- C8H12ClN5
- Average molar mass
- 213.67 g/mol
- Monoisotopic mass
- 213.0781231
Names & identifiers
- Preferred name
- 1-Phenylbiguanide monohydrochloride
- IUPAC
- 1-(diaminomethylidene)-2-phenylguanidine;hydrochloride
- English name
- 1-Phenylbiguanide hydrochloride
- Molecular formula
- C8H11N5.ClH
- Molecular weight
- 213.67
Names & synonyms
1-Phenylbiguanide monohydrochlorideRefChem:435676200-239-255-57-21-PHENYLBIGUANIDE HYDROCHLORIDEN-Phenylimidodicarbonimidic diamide hydrochloridePhenylbiguanide hydrochlorideMFCD00035040Phenyldiguanide hydrochloride1-Phenylbiquanide hydrochloridePhenylbiguanide monohydrochlorideN'-Phenylbiguanide monohydrochloride
Show more names
Compound PDK0269PHENYL BIGUANIDE HCL1-PhenylbiguanideHClPHENYL BIGUANIDE HYDROCHLORIDEphenylbiguanidemonohydrochloride1-phenyl-biguanidmonohydrochloriden’-phenylbiguanidemonohydrochloride1-Phenylbiguanide hydrochloride 98%
Phenylbiguanide (hydrochloride)1-carbamimidamido-N-phenylmethanimidamide hydrochlorideImidodicarbonimidic diamide, N-phenyl-, monohydrochlorideN-Phenylbiguanide;PBG; 1-Phenylbiguanide1-Phenylbiquanide HClNSC 3392EINECS 200-239-2AI3-14763
Database identifiers
- CAS
55-57-2- PubChem CID
- 5932
- DTXSID
DTXSID1058763- ChEMBL
CHEMBL3039205- EC Number
- 200-239-2
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 244 · 244-247 °C(lit.)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly, Sonicated), Water (Slightly, Sonicated)
- form
- Solid
- color
- Prisms
- Stability
- Hygroscopic
- InChI
- 1S/C8H11N5.ClH/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;/h1-5H,(H6,9,10,11,12,13);1H
- InChIKey
- FHUDRDSKZQDCBC-UHFFFAOYSA-N
- SMILES
- Cl.NC(=N)NC(=N)Nc1ccccc1
- EPA Substance Registry System
- Imidodicarbonimidic diamide, N-phenyl-, monohydrochloride (55-57-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 12.8% (6 of 47) of reports.
Warning
H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (87.2%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DU2550000
- Toxicity
- LD50 orl-mus: 1200 mg/kg CKFRAY1,434,52
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationImidodicarbonimidic diamide, N-phenyl-, hydrochloride (1:1): INACTIVE
Applications
Uses1-Phenylbiguanide Hydrochloride is a SR-3 agonist. Possesses cardiovascular effects in anesthetized dogs.
Upstream & downstream products
Downstream products
Suppliers41 total
上海凛南医药科技有限公司15900633975;13262632028 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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