Basic information
- CAS
20277-92-3- Standard SMILES
N=C(N)N(c1ccccc1)c1ccccc1- InChIKey
MFHNAXHSHOCFEC-UHFFFAOYSA-N- Molecular formula
- C13H13N3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.11094743
Names & identifiers
- Preferred name
- N,N-Diphenylguanidine
- IUPAC
- 1,1-diphenylguanidine
- English name
- 1,1-Diphenylguanidine
- Molecular formula
- C13H13N3
- Molecular weight
- 211.26
Names & synonyms
n,n-diphenylguanidine1,1-diphenylguanidine20277-92-3Guanidine, N,N-diphenyl-CL047JBJ5QDTXSID70174126RefChem:1090598DTXCID8096617CHEMBL79616UNII-CL047JBJ5QdiphenylguanidinGUANIDINE F
Show more names
N,N-Diphenyl-guanidineGUANYLDIPHENYLAMINESCHEMBL36862SCHEMBL1797820GUANIDINE, 1,1-DIPHENYL-BDBM50010737CS-0306652EN300-7352694
Database identifiers
- CAS
20277-92-3- PubChem CID
- 14657
- DTXSID
DTXSID70174126- ChEMBL
CHEMBL79616- UNII
- CL047JBJ5Q
- Nikkaji
- J141.363E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 142 °C · 142 °C
- Boiling point
- 338.5 · 338.5±25.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 11.97 · 11.97±0.10(Predicted)
- FDA UNII
- 47 JBJ5Q · CL047JBJ5Q
Chemistry & industry
Suppliers1 total
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Related reactions
4 records
Compound notes
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