Home > Compound List > Compound details
MFCD09040670 molecular structure
click picture or here to close

2-[2-(aminomethyl)phenoxy]acetamide

ChemBase ID: 280094
Molecular Formular: C9H12N2O2
Molecular Mass: 180.20378
Monoisotopic Mass: 180.08987763
SMILES and InChIs

SMILES:
C(=O)(COc1c(CN)cccc1)N
Canonical SMILES:
NCc1ccccc1OCC(=O)N
InChI:
InChI=1S/C9H12N2O2/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,5-6,10H2,(H2,11,12)
InChIKey:
KZHYCNKGHCDHBS-UHFFFAOYSA-N

Cite this record

CBID:280094 http://www.chembase.cn/molecule-280094.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(aminomethyl)phenoxy]acetamide
IUPAC Traditional name
2-[2-(aminomethyl)phenoxy]acetamide
Synonyms
2-[2-(aminomethyl)phenoxy]acetamide
MDL Number
MFCD09040670
PubChem SID
180665625
PubChem CID
16228731

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87165 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228731 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.626786  H Acceptors
H Donor LogD (pH = 5.5) -3.2817998 
LogD (pH = 7.4) -1.9414922  Log P -0.3876163 
Molar Refractivity 48.9014 cm3 Polarizability 19.261747 Å3
Polar Surface Area 78.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.492 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