Basic information
- CAS
101-62-2- Standard SMILES
N=C(N)c1ccc(Oc2ccc(C(=N)N)cc2)cc1- InChIKey
DMABBVCVVXMJDH-UHFFFAOYSA-N- Molecular formula
- C14H14N4O
- Average molar mass
- 254.29 g/mol
- Monoisotopic mass
- 254.11676108
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Phenamidine
- IUPAC
- 4-(4-carbamimidoylphenoxy)benzenecarboximidamide
- English name
- 4,4'-Dibenzamidine oxide
- Molecular formula
- C14H14N4O
- Molecular weight
- 254.29
Names & synonyms
Phenamidine101-62-24,4'-Oxydibenzamidinedi(4-amidinophenyl)ether382086V7IBDTXSID10143619RefChem:172596DTXCID5066110202-960-84-(4-carbamimidoylphenoxy)benzenecarboximidamide4,4/'-DIBENZAMIDINE OXIDEUNII-382086V7IB
Show more names
4,4'-Dibenzamidine oxide4,4'-Oxybis(benzenecarbimide amide)Benzenecarboximidamide, 4,4'-oxybis-
EINECS 202-960-8PHENAMIDINE [MI]SCHEMBL483100CHEMBL588339BENZAMIDINE, 4,4'-OXYDI-4-(4-carbamimidoylphenoxy)benzamidine4,4'-Oxydi(benzene-1-carboximidamide)4,4'-OXYBISBENZENECARBOXIMIDAMIDE
Database identifiers
- CAS
101-62-2- PubChem CID
- 64948
- DTXSID
DTXSID10143619- ChEMBL
CHEMBL588339- UNII
- 382086V7IB
- EC Number
- 202-960-8
- Nikkaji
- J182.146F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 215 · 215-216°
- FDA UNII
- 382086 V7IB · 382086V7IB
Chemistry & industry
Pharmacology
ATC CodeQP - Antiparasitic products, insecticides and repellents
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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