Basic information
- CAS
4323-50-6- Standard SMILES
NC(N)=NC(N)=Nc1ccc([N+](=O)[O-])cc1- InChIKey
BRGSYTBCYKKSBQ-UHFFFAOYSA-N- Molecular formula
- C8H10N6O2
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.08652358
Names & identifiers
- Preferred name
- Biguanide, 1-(p-nitrophenyl)-
- IUPAC
- 1-(diaminomethylidene)-2-(4-nitrophenyl)guanidine
- English name
- 1-(p-nitrophenyl)biguanide
- Molecular formula
- C8H10N6O2
- Molecular weight
- 222.2
Names & synonyms
p-Nitrophenylbiguanide1-(p-Nitrophenyl)biguanideBIGUANIDE, 1-(p-NITROPHENYL)-N-(4-Nitrophenyl)imidodicarbonimidic diamideImidodicarbonimidic diamide, N-(4-nitrophenyl)-EINECS 224-355-892H4DR2UHDNSC 347851-p-NitrophenylbiguanideNSC-34785DTXSID90195797RefChem:119785
Show more names
Aids019500Aids-019500
DTXCID30118288Imidodicarbonimidic diamide, N-(4-nitrophenyl)-(9CI)BRGSYTBCYKKSBQ-UHFFFAOYSA-N4323-50-61-Carbamimidamido-N-(4-nitrophenyl)methanimidamideCHEMBL40883811-(diaminomethylidene)-2-(4-nitrophenyl)guanidineNSC34785
Database identifiers
- CAS
4323-50-6- PubChem CID
- 20322
- DTXSID
DTXSID90195797- ChEMBL
CHEMBL4088381- UNII
- 92H4DR2UHD
- EC Number
- 224-355-8
- Nikkaji
- J41.833A
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- FDA UNII
- 92 H4DR2UHD · 92H4DR2UHD
- Toxicity
- 50 ipr-mus: · LD50 ipr-mus: 165 mg/kg JMCMAR 10,521,67
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 ipr-mus: 165 mg/kg JMCMAR 10,521,67
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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