Home > Compound List > Compound details
15970-40-8 molecular structure
click picture or here to close

4-phenyl-1H-imidazole-1,2-diamine

ChemBase ID: 121741
Molecular Formular: C9H10N4
Molecular Mass: 174.2025
Monoisotopic Mass: 174.09054634
SMILES and InChIs

SMILES:
n1c(n(cc1c1ccccc1)N)N
Canonical SMILES:
Nn1cc(nc1N)c1ccccc1
InChI:
InChI=1S/C9H10N4/c10-9-12-8(6-13(9)11)7-4-2-1-3-5-7/h1-6H,11H2,(H2,10,12)
InChIKey:
PDRGDRQVKOPWFY-UHFFFAOYSA-N

Cite this record

CBID:121741 http://www.chembase.cn/molecule-121741.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenyl-1H-imidazole-1,2-diamine
IUPAC Traditional name
4-phenylimidazole-1,2-diamine
Synonyms
4-phenyl-1H-imidazole-1,2-diamine
CAS Number
15970-40-8
MDL Number
MFCD00778400
PubChem SID
162216094
PubChem CID
765290

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 765290 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.55457133  LogD (pH = 7.4) 0.56120104 
Log P 0.7775765  Molar Refractivity 53.8455 cm3
Polarizability 20.377815 Å3 Polar Surface Area 69.86 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
258 - 260°C expand Show data source
Hydrophobicity(logP)
1.672 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle