Home > Compound List > Compound details
36926-84-8 molecular structure
click picture or here to close

3-phenylquinolin-2-amine

ChemBase ID: 87889
Molecular Formular: C15H12N2
Molecular Mass: 220.26918
Monoisotopic Mass: 220.10004839
SMILES and InChIs

SMILES:
n1c(c(cc2ccccc12)c1ccccc1)N
Canonical SMILES:
Nc1nc2ccccc2cc1c1ccccc1
InChI:
InChI=1S/C15H12N2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H,(H2,16,17)
InChIKey:
CIHDZAQRRFHMLW-UHFFFAOYSA-N

Cite this record

CBID:87889 http://www.chembase.cn/molecule-87889.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenylquinolin-2-amine
IUPAC Traditional name
3-phenylquinolin-2-amine
Synonyms
3-Phenylquinolin-2-amine
(2-Aminoquinolin-3-yl)benzene
2-Amino-3-phenylquinoline
CAS Number
36926-84-8
MDL Number
MFCD00272522
PubChem SID
162074929
PubChem CID
12293898

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12293898 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0881891  LogD (pH = 7.4) 3.533368 
Log P 3.5436573  Molar Refractivity 70.1294 cm3
Polarizability 29.279322 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Air Sensitive/Store under Argon expand Show data source
Purity
98% 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