Home > Compound List > Compound details
56814-10-9 molecular structure
click picture or here to close

2-amino-N-propylbenzamide

ChemBase ID: 21571
Molecular Formular: C10H14N2O
Molecular Mass: 178.23096
Monoisotopic Mass: 178.11061308
SMILES and InChIs

SMILES:
c1(C(=O)NCCC)c(N)cccc1
Canonical SMILES:
CCCNC(=O)c1ccccc1N
InChI:
InChI=1S/C10H14N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKey:
XFIFLMUVUBNJEY-UHFFFAOYSA-N

Cite this record

CBID:21571 http://www.chembase.cn/molecule-21571.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-propylbenzamide
IUPAC Traditional name
2-amino-N-propylbenzamide
Synonyms
2-Amino-N-propylbenzamide
CAS Number
56814-10-9
MDL Number
MFCD02374350
PubChem SID
160984878
PubChem CID
1653335

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1653335 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.413275  H Acceptors
H Donor LogD (pH = 5.5) 1.7469224 
LogD (pH = 7.4) 1.7479534  Log P 1.7479665 
Molar Refractivity 54.0061 cm3 Polarizability 19.82323 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
206 - 208°C expand Show data source
Partition Coefficient
1.486 expand Show data source
Hydrophobicity(logP)
1.612 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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