Home > Compound List > Compound details
14966-91-7 molecular structure
click picture or here to close

6-phenylpyridazin-3-amine

ChemBase ID: 77536
Molecular Formular: C10H9N3
Molecular Mass: 171.19856
Monoisotopic Mass: 171.0796473
SMILES and InChIs

SMILES:
n1nc(ccc1c1ccccc1)N
Canonical SMILES:
Nc1ccc(nn1)c1ccccc1
InChI:
InChI=1S/C10H9N3/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,13)
InChIKey:
YTDZFWNQRRMELI-UHFFFAOYSA-N

Cite this record

CBID:77536 http://www.chembase.cn/molecule-77536.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-phenylpyridazin-3-amine
IUPAC Traditional name
6-phenylpyridazin-3-amine
Synonyms
6-Phenylpyridazin-3-amine
3-Amino-6-phenylpyridazine
6-phenylpyridazin-3-amine
CAS Number
14966-91-7
MDL Number
MFCD00234636
PubChem SID
162042408
PubChem CID
11958915

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11958915 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5607127  LogD (pH = 7.4) 1.5742356 
Log P 1.5744107  Molar Refractivity 53.5425 cm3
Polarizability 20.682196 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
145 - 147°C expand Show data source
Hydrophobicity(logP)
1.639 expand Show data source
Storage Warning
Irritant 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