Home > Compound List > Compound details
76765-61-2 molecular structure
click picture or here to close

3-amino-4-methyl-N-propylbenzamide

ChemBase ID: 308227
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
C(=O)(c1cc(c(cc1)C)N)NCCC
Canonical SMILES:
CCCNC(=O)c1ccc(c(c1)N)C
InChI:
InChI=1S/C11H16N2O/c1-3-6-13-11(14)9-5-4-8(2)10(12)7-9/h4-5,7H,3,6,12H2,1-2H3,(H,13,14)
InChIKey:
WKCKYTBTONLULO-UHFFFAOYSA-N

Cite this record

CBID:308227 http://www.chembase.cn/molecule-308227.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-4-methyl-N-propylbenzamide
IUPAC Traditional name
3-amino-4-methyl-N-propylbenzamide
Synonyms
3-amino-4-methyl-N-propylbenzamide
CAS Number
76765-61-2
MDL Number
MFCD09046070

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4028171 external link Add to cart
Data Source Data ID Price
ChemBridge
4028171 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6092427  LogD (pH = 7.4) 1.6113609 
Log P 1.611388  Molar Refractivity 59.0473 cm3
Polarizability 21.586693 Å3 Polar Surface Area 55.12 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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