Home > Compound List > Compound details
30391-87-8 molecular structure
click picture or here to close

2-amino-N-(butan-2-yl)benzamide

ChemBase ID: 21927
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
C(=O)(c1c(N)cccc1)NC(CC)C
Canonical SMILES:
CCC(NC(=O)c1ccccc1N)C
InChI:
InChI=1S/C11H16N2O/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKey:
UOKULICTTSTSHO-UHFFFAOYSA-N

Cite this record

CBID:21927 http://www.chembase.cn/molecule-21927.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-(butan-2-yl)benzamide
IUPAC Traditional name
2-amino-N-(sec-butyl)benzamide
Synonyms
2-Amino-N-(but-2-yl)benzamide
2-Amino-N-sec-butylbenzamide
2-Amino-N-(sec-butyl)benzamide
2-氨基-N-仲-丁基苯甲酰胺
CAS Number
30391-87-8
MDL Number
MFCD00116303
PubChem SID
160985234
PubChem CID
2774307

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2774307 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.509967  H Acceptors
H Donor LogD (pH = 5.5) 2.163456 
LogD (pH = 7.4) 2.164528  Log P 2.1645415 
Molar Refractivity 58.4249 cm3 Polarizability 21.665216 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A 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