Home > Compound List > Compound details
25914-22-1 molecular structure
click picture or here to close

1-N-(4-methoxyphenyl)benzene-1,2-diamine hydrochloride

ChemBase ID: 229843
Molecular Formular: C13H15ClN2O
Molecular Mass: 250.724
Monoisotopic Mass: 250.08729079
SMILES and InChIs

SMILES:
N(c1c(N)cccc1)c1ccc(cc1)OC.Cl
Canonical SMILES:
COc1ccc(cc1)Nc1ccccc1N.Cl
InChI:
InChI=1S/C13H14N2O.ClH/c1-16-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14;/h2-9,15H,14H2,1H3;1H
InChIKey:
HVSCGGBMKWCYSY-UHFFFAOYSA-N

Cite this record

CBID:229843 http://www.chembase.cn/molecule-229843.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-N-(4-methoxyphenyl)benzene-1,2-diamine hydrochloride
IUPAC Traditional name
1-N-(4-methoxyphenyl)benzene-1,2-diamine hydrochloride
Synonyms
N-(2-aminophenyl)-N-(4-methoxyphenyl)amine hydrochloride
CAS Number
25914-22-1
MDL Number
MFCD07700776
PubChem SID
164285753
PubChem CID
16196093

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-02791 external link Add to cart Please log in.
Data Source Data ID
PubChem 16196093 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4222448  LogD (pH = 7.4) 2.4265196 
Log P 2.4265745  Molar Refractivity 65.7078 cm3
Polarizability 24.72971 Å3 Polar Surface Area 47.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
54 - 55°C expand Show data source
Hydrophobicity(logP)
2.496 expand Show data source
Purity
95% expand Show data source
Salt Data
HCl 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